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5-(oxan-4-yl)-1H-pyrazol-3-amine

5-(oxan-4-yl)-1H-pyrazol-3-amine

CAS: 1000896-69-4

Formula: C8H13N3O

SMILES: NC1=NNC(=C1)C1CCOCC1

IUPAC: 5-(oxan-4-yl)-1H-pyrazol-3-amine

InChI: InChI=1S/C8H13N3O/c9-8-5-7(10-11-8)6-1-3-12-4-2-6/h5-6H,1-4H2,(H3,9,10,11)

Composition: C (57.46%), H (7.84%), N (25.13%), O (9.57%)

Molar Mass: 167.212

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 167.105862051
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AQPGNHFZFXIMJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.45
Topological Polar Surface Area 63.93
Polarizability 17.37
Ring Count 2
Rotatable Bond Count 1

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