1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile

C10H8N4O — CID 82591114

IUPAC1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
SMILESN#CCn1nc(C#N)c2c1CCCC2=O
InChIInChI=1S/C10H8N4O/c11-4-5-14-8-2-1-3-9(15)10(8)7(6-12)13-14/h1-3,5H2
InChIKeySDIBXRFZCKCAPW-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.80
Rot. Bonds1

About 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile

1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile (PubChem CID 82591114) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
PubChem CID82591114
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
SMILESN#CCn1nc(C#N)c2c1CCCC2=O
InChIInChI=1S/C10H8N4O/c11-4-5-14-8-2-1-3-9(15)10(8)7(6-12)13-14/h1-3,5H2
InChIKeySDIBXRFZCKCAPW-UHFFFAOYSA-N
XLogP0.80
TPSA82.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
The IUPAC name of 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile (CID 82591114) is 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile is N#CCn1nc(C#N)c2c1CCCC2=O.
What is the InChIKey of 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
The InChIKey is SDIBXRFZCKCAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-4-5-14-8-2-1-3-9(15)10(8)7(6-12)13-14/h1-3,5H2.
What are the key properties of 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile is sourced from PubChem (CID 82591114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).