6'-amino-3'-methyl-2'H-spiro[cyclohexane-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

6'-amino-3'-methyl-2'H-spiro[cyclohexane-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

CAS: 300839-23-0

Formula: C13H16N4O

SMILES: CC1=C2C(OC(N)=C(C#N)C22CCCCC2)=NN1

IUPAC: 6'-amino-3'-methyl-2'H-spiro[cyclohexane-1,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

InChI: InChI=1S/C13H16N4O/c1-8-10-12(17-16-8)18-11(15)9(7-14)13(10)5-3-2-4-6-13/h2-6,15H2,1H3,(H,16,17)

Composition: C (63.91%), H (6.60%), N (22.93%), O (6.55%)

Molar Mass: 244.298

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.132411151
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YCHIEBSYBGCZJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.61
Topological Polar Surface Area	87.72
Polarizability	25.44
Ring Count	3
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	300839-23-0		$254.80$254.80