1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine

C9H9N5 — CID 5103525

IUPAC1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
SMILESCC(=Nn1cnnc1)c1ccncc1
InChIInChI=1S/C9H9N5/c1-8(9-2-4-10-5-3-9)13-14-6-11-12-7-14/h2-7H,1H3
InChIKeyJNTXFFNVCVVWMD-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.95
Rot. Bonds2

About 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine

1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine (PubChem CID 5103525) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
PubChem CID5103525
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
SMILESCC(=Nn1cnnc1)c1ccncc1
InChIInChI=1S/C9H9N5/c1-8(9-2-4-10-5-3-9)13-14-6-11-12-7-14/h2-7H,1H3
InChIKeyJNTXFFNVCVVWMD-UHFFFAOYSA-N
XLogP0.95
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
N-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-4H-1,2,4-triazol-4-amine
CID 6858549
N-(4H-1,2,4-triazol-4-yl)-N-({1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}methylene)amine
CID 6859150
N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine
CID 294856
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
5-(4-Pyridyl)-1H-Tetrazole
CID 482249
2-(1,2,4-Triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 2744602
1-butyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 1817894

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine (CID 5103525) is 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine is CC(=Nn1cnnc1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
The InChIKey is JNTXFFNVCVVWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-8(9-2-4-10-5-3-9)13-14-6-11-12-7-14/h2-7H,1H3.
What are the key properties of 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine has a molecular weight of 187.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 5103525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).