4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-ol

4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-ol

CAS: 1429496-00-3

Formula: C11H15N3OS

SMILES: CC1=NC2=C(C(O)N1N)C1=C(CCCC1)S2

IUPAC: 4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-ol

InChI: InChI=1/C11H15N3OS/c1-6-13-10-9(11(15)14(6)12)7-4-2-3-5-8(7)16-10/h11,15H,2-5,12H2,1H3

Composition: C (55.67%), H (6.37%), N (17.71%), O (6.74%), S (13.51%)

Molar Mass: 237.32

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	237.093583289
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SRDPJHYKONJFCA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.86
Topological Polar Surface Area	61.85
Polarizability	24.18
Ring Count	3
Rotatable Bond Count	0

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