N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline

C19H19N5 — CID 9350632

IUPACN-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline
SMILESCN(/N=C\C=C\c1cn(Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C19H19N5/c1-23(19-12-6-3-7-13-19)20-14-8-11-18-16-24(22-21-18)15-17-9-4-2-5-10-17/h2-14,16H,15H2,1H3/b11-8+,20-14-
InChIKeyPHIBAJLNONVBDR-LXBAEQJTSA-N
MW317.40 g/mol
LogP3.46
Rot. Bonds6

About N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline

N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline (PubChem CID 9350632) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline
PubChem CID9350632
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline
SMILESCN(/N=C\C=C\c1cn(Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C19H19N5/c1-23(19-12-6-3-7-13-19)20-14-8-11-18-16-24(22-21-18)15-17-9-4-2-5-10-17/h2-14,16H,15H2,1H3/b11-8+,20-14-
InChIKeyPHIBAJLNONVBDR-LXBAEQJTSA-N
XLogP3.46
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine
CID 7130902
(Z)-3-(1-benzyltriazol-4-yl)prop-2-enal
CID 25323162
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-3-chloroaniline
CID 9211953
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-hydroxybenzamide
CID 9212475
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 9231287
(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 24503428
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-ethoxybenzamide
CID 9231357
3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9238289
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217455
2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 9296249
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279
(E)-3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 154884212

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline?
The IUPAC name of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline (CID 9350632) is N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline.
What is the SMILES notation for N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline?
The canonical SMILES for N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline is CN(/N=C\C=C\c1cn(Cc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline?
The InChIKey is PHIBAJLNONVBDR-LXBAEQJTSA-N. The full InChI is InChI=1S/C19H19N5/c1-23(19-12-6-3-7-13-19)20-14-8-11-18-16-24(22-21-18)15-17-9-4-2-5-10-17/h2-14,16H,15H2,1H3/b11-8+,20-14-.
What are the key properties of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline?
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline has a molecular weight of 317.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline is sourced from PubChem (CID 9350632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).