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

C10H10N4O — CID 759377

IUPAC1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(C=Nn2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-8H,1H3
InChIKeyBNEVLLSLBKNREQ-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.17
Rot. Bonds3

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

1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 759377) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID759377
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(C=Nn2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-8H,1H3
InChIKeyBNEVLLSLBKNREQ-UHFFFAOYSA-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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Related Compounds

(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858839
(Z)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415389
(E)-1-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349484
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 112537966
(E)-1-[4-(1-methoxyethenyl)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 172920566
1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 690735
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
1-(3-chloro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 4535842
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
(E)-1-[4-[(4-tert-butylphenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339842
(E)-1-(4-methoxyphenyl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 6858814

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 759377) is 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc(C=Nn2cnnc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is BNEVLLSLBKNREQ-UHFFFAOYSA-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.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
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 1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 759377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).