(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine

C20H22N4O — CID 98474952

IUPAC(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
SMILESCOc1ccccc1/C=C\CNCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H22N4O/c1-25-20-7-3-2-5-19(20)6-4-12-21-13-17-8-10-18(11-9-17)14-24-16-22-15-23-24/h2-11,15-16,21H,12-14H2,1H3/b6-4-
InChIKeyKBFOGVRNWQCHCW-XQRVVYSFSA-N
MW334.42 g/mol
LogP3.14
Rot. Bonds8

About (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine

(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine (PubChem CID 98474952) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
PubChem CID98474952
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
SMILESCOc1ccccc1/C=C\CNCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H22N4O/c1-25-20-7-3-2-5-19(20)6-4-12-21-13-17-8-10-18(11-9-17)14-24-16-22-15-23-24/h2-11,15-16,21H,12-14H2,1H3/b6-4-
InChIKeyKBFOGVRNWQCHCW-XQRVVYSFSA-N
XLogP3.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 51320344
(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
CID 56823424
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
(E)-3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 109375495
1-(1-methoxypropan-2-yl)-1-methyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 51083986
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141816
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424345
1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125827
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 65338671
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine (CID 98474952) is (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine is COc1ccccc1/C=C\CNCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine?
The InChIKey is KBFOGVRNWQCHCW-XQRVVYSFSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-20-7-3-2-5-19(20)6-4-12-21-13-17-8-10-18(11-9-17)14-24-16-22-15-23-24/h2-11,15-16,21H,12-14H2,1H3/b6-4-.
What are the key properties of (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine?
(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine has a molecular weight of 334.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 98474952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).