(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile

C10H7N5 — CID 177455891

IUPAC(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccncc1)c1ncn[nH]1
InChIInChI=1S/C10H7N5/c11-6-9(10-13-7-14-15-10)5-8-1-3-12-4-2-8/h1-5,7H,(H,13,14,15)/b9-5-
InChIKeySWRXLGLEUFOCGO-UITAMQMPSA-N
MW197.20 g/mol
LogP1.26
Rot. Bonds2

About (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile

(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile (PubChem CID 177455891) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile
PubChem CID177455891
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccncc1)c1ncn[nH]1
InChIInChI=1S/C10H7N5/c11-6-9(10-13-7-14-15-10)5-8-1-3-12-4-2-8/h1-5,7H,(H,13,14,15)/b9-5-
InChIKeySWRXLGLEUFOCGO-UITAMQMPSA-N
XLogP1.26
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dipyridin-4-ylprop-2-enenitrile
CID 3390949
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
CID 19707387
(Z)-2-bromo-3-pyridin-4-ylprop-2-enenitrile
CID 13092350
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
3-(2-fluoro-4-pyridinyl)-2-pyridin-4-ylprop-2-enenitrile
CID 140837743
(E)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 135782649
(E)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylprop-2-enenitrile
CID 7605374
3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
CID 3251681
(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 75409758
(Z)-3-(3,5-ditert-butylphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 22904113
2-methyl-3-pyridin-4-ylprop-2-enenitrile;4-prop-1-enylpyridine;pyridine-4-carbaldehyde
CID 160749590
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529297

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile (CID 177455891) is (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile is N#C/C(=C/c1ccncc1)c1ncn[nH]1.
What is the InChIKey of (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile?
The InChIKey is SWRXLGLEUFOCGO-UITAMQMPSA-N. The full InChI is InChI=1S/C10H7N5/c11-6-9(10-13-7-14-15-10)5-8-1-3-12-4-2-8/h1-5,7H,(H,13,14,15)/b9-5-.
What are the key properties of (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile?
(Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile has a molecular weight of 197.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enenitrile is sourced from PubChem (CID 177455891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).