(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine

C10H11N5 — CID 6861734

IUPAC(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine
SMILESCc1nnc(C)n1/N=C/c1ccccn1
InChIInChI=1S/C10H11N5/c1-8-13-14-9(2)15(8)12-7-10-5-3-4-6-11-10/h3-7H,1-2H3/b12-7+
InChIKeyLADQJXUMXMWBIA-KPKJPENVSA-N
MW201.23 g/mol
LogP1.17
Rot. Bonds2

About (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine (PubChem CID 6861734) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine
PubChem CID6861734
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine
SMILESCc1nnc(C)n1/N=C/c1ccccn1
InChIInChI=1S/C10H11N5/c1-8-13-14-9(2)15(8)12-7-10-5-3-4-6-11-10/h3-7H,1-2H3/b12-7+
InChIKeyLADQJXUMXMWBIA-KPKJPENVSA-N
XLogP1.17
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine?
The IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine (CID 6861734) is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine is Cc1nnc(C)n1/N=C/c1ccccn1.
What is the InChIKey of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine?
The InChIKey is LADQJXUMXMWBIA-KPKJPENVSA-N. The full InChI is InChI=1S/C10H11N5/c1-8-13-14-9(2)15(8)12-7-10-5-3-4-6-11-10/h3-7H,1-2H3/b12-7+.
What are the key properties of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine?
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine has a molecular weight of 201.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 6861734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).