2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile

C8H10N4 — CID 131084001

IUPAC2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile
SMILESN#CCN1CCc2cn[nH]c2C1
InChIInChI=1S/C8H10N4/c9-2-4-12-3-1-7-5-10-11-8(7)6-12/h5H,1,3-4,6H2,(H,10,11)
InChIKeyNUYSYKIDNLSEPF-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.29
Rot. Bonds1

About 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile

2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile (PubChem CID 131084001) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile
PubChem CID131084001
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile
SMILESN#CCN1CCc2cn[nH]c2C1
InChIInChI=1S/C8H10N4/c9-2-4-12-3-1-7-5-10-11-8(7)6-12/h5H,1,3-4,6H2,(H,10,11)
InChIKeyNUYSYKIDNLSEPF-UHFFFAOYSA-N
XLogP0.29
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130734822
6-iodo-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154470853
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
2-(6-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
CID 170372522
2-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)acetonitrile;ethane;propane
CID 177140859
5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 167838263
2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile
CID 146409718
ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate
CID 71875284
N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 91829871
2-(4-methyl-3-oxopiperazin-1-yl)acetonitrile
CID 64680343
1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione
CID 127333633

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile?
The IUPAC name of 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile (CID 131084001) is 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile.
What is the SMILES notation for 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile?
The canonical SMILES for 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile is N#CCN1CCc2cn[nH]c2C1.
What is the InChIKey of 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile?
The InChIKey is NUYSYKIDNLSEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-2-4-12-3-1-7-5-10-11-8(7)6-12/h5H,1,3-4,6H2,(H,10,11).
What are the key properties of 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile?
2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile is sourced from PubChem (CID 131084001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).