2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile

C8H10N4 — CID 105431907

IUPAC2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCn1nc2c(c1C#N)CCNC2
InChIInChI=1S/C8H10N4/c1-12-8(4-9)6-2-3-10-5-7(6)11-12/h10H,2-3,5H2,1H3
InChIKeyZZRZRNUWCGUONR-UHFFFAOYSA-N
MW162.20 g/mol
LogP-0.06
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile

2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 105431907) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID105431907
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCn1nc2c(c1C#N)CCNC2
InChIInChI=1S/C8H10N4/c1-12-8(4-9)6-2-3-10-5-7(6)11-12/h10H,2-3,5H2,1H3
InChIKeyZZRZRNUWCGUONR-UHFFFAOYSA-N
XLogP-0.06
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105456674
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 84657576
2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 172720249
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
CID 105450536
4-(2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)morpholine
CID 83863104
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
CID 105489962
3-methoxy-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83845943
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile
CID 131503038
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
(2-ethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanol
CID 105439524
3,5-dimethyl-6,7,8,9-tetrahydropyrazolo[3,4-c][2,6]naphthyridin-1-amine
CID 96610505

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile (CID 105431907) is 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile is Cn1nc2c(c1C#N)CCNC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is ZZRZRNUWCGUONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-8(4-9)6-2-3-10-5-7(6)11-12/h10H,2-3,5H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 105431907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).