(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine

C17H15N5 — CID 172916281

IUPAC(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine
SMILESCc1nnc(N=Cc2ccccc2)n1/N=C/c1ccccc1
InChIInChI=1S/C17H15N5/c1-14-20-21-17(18-12-15-8-4-2-5-9-15)22(14)19-13-16-10-6-3-7-11-16/h2-13H,1H3/b18-12?,19-13+
InChIKeyCFZPSHXWTQXNIA-QFXLRJOESA-N
MW289.34 g/mol
LogP3.22
Rot. Bonds4

About (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine

(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine (PubChem CID 172916281) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine
PubChem CID172916281
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine
SMILESCc1nnc(N=Cc2ccccc2)n1/N=C/c1ccccc1
InChIInChI=1S/C17H15N5/c1-14-20-21-17(18-12-15-8-4-2-5-9-15)22(14)19-13-16-10-6-3-7-11-16/h2-13H,1H3/b18-12?,19-13+
InChIKeyCFZPSHXWTQXNIA-QFXLRJOESA-N
XLogP3.22
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.22
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-phenoxyphenyl)methanimine
CID 3242741
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
CID 761592
(E)-1-(4-chlorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 5337680
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine
CID 726906
(Z)-N-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 6182061
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
N-(3-azido-5-methyl-1,2,4-triazol-4-yl)-1-(4-methoxyphenyl)methanimine
CID 4157322
1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 4776080
(E)-[4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-1,2,4-triazol-3-yl]imino-iminoazanium
CID 73253745
(Z,E)-2-chloro-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-phenylprop-2-en-1-imine
CID 6508237
(Z)-1-(4-fluorophenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 110521680
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine (CID 172916281) is (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine is Cc1nnc(N=Cc2ccccc2)n1/N=C/c1ccccc1.
What is the InChIKey of (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine?
The InChIKey is CFZPSHXWTQXNIA-QFXLRJOESA-N. The full InChI is InChI=1S/C17H15N5/c1-14-20-21-17(18-12-15-8-4-2-5-9-15)22(14)19-13-16-10-6-3-7-11-16/h2-13H,1H3/b18-12?,19-13+.
What are the key properties of (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine?
(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine has a molecular weight of 289.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine is sourced from PubChem (CID 172916281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).