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

C9H9N5 — CID 6271059

IUPAC(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N/n1cnnc1)c1ccncc1
InChIInChI=1S/C9H9N5/c1-8(9-2-4-10-5-3-9)13-14-6-11-12-7-14/h2-7H,1H3/b13-8-
InChIKeyJNTXFFNVCVVWMD-JYRVWZFOSA-N
MW187.21 g/mol
LogP0.95
Rot. Bonds2

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

(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine (PubChem CID 6271059) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Name(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
PubChem CID6271059
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N/n1cnnc1)c1ccncc1
InChIInChI=1S/C9H9N5/c1-8(9-2-4-10-5-3-9)13-14-6-11-12-7-14/h2-7H,1H3/b13-8-
InChIKeyJNTXFFNVCVVWMD-JYRVWZFOSA-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-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 5103525
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide
CID 156710850
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
3-(4-methylphenyl)-4-[(E)-1-pyridin-4-ylethylideneamino]-1H-1,2,4-triazole-5-thione
CID 5410297
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-4-ylethanimine
CID 5435707
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547
(1-pyridin-4-ylethylideneamino)urea
CID 2755736

Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine (CID 6271059) is (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine is C/C(=N/n1cnnc1)c1ccncc1.
What is the InChIKey of (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
The InChIKey is JNTXFFNVCVVWMD-JYRVWZFOSA-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/b13-8-.
What are the key properties of (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine?
(Z)-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 (Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 6271059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).