N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine

C17H16N4O — CID 3242741

IUPACN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
SMILESCc1nnc(C)n1N=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H16N4O/c1-13-19-20-14(2)21(13)18-12-15-7-6-10-17(11-15)22-16-8-4-3-5-9-16/h3-12H,1-2H3
InChIKeyCSPGMDKBWZOPIE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.57
Rot. Bonds4

About N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine (PubChem CID 3242741) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
PubChem CID3242741
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
SMILESCc1nnc(C)n1N=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H16N4O/c1-13-19-20-14(2)21(13)18-12-15-7-6-10-17(11-15)22-16-8-4-3-5-9-16/h3-12H,1-2H3
InChIKeyCSPGMDKBWZOPIE-UHFFFAOYSA-N
XLogP3.57
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.57
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

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
CID 761592
1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
CID 662960
(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine
CID 172916281
3-(3-fluorophenyl)-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9238840
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
(E)-1-(4-chlorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 5337680
1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 4776080

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine?
The IUPAC name of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine (CID 3242741) is N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine.
What is the SMILES notation for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine?
The canonical SMILES for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine is Cc1nnc(C)n1N=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine?
The InChIKey is CSPGMDKBWZOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-19-20-14(2)21(13)18-12-15-7-6-10-17(11-15)22-16-8-4-3-5-9-16/h3-12H,1-2H3.
What are the key properties of N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine?
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine has a molecular weight of 292.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine is sourced from PubChem (CID 3242741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).