(E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C10H10N4O — CID 6858566

IUPAC(E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-8H,1H3/b13-6+
InChIKeyBNEVLLSLBKNREQ-AWNIVKPZSA-N
MW202.22 g/mol
LogP1.17
Rot. Bonds3

About (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858566) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858566
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name(E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-8H,1H3/b13-6+
InChIKeyBNEVLLSLBKNREQ-AWNIVKPZSA-N
XLogP1.17
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
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)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858566) is (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc(/C=N/n2cnnc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is BNEVLLSLBKNREQ-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H10N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-8H,1H3/b13-6+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 202.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).