2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine

C20H20N4O — CID 10616575

IUPAC2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
SMILESCOc1ccc(Nc2nc(C)nn2C(=C2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H20N4O/c1-14-21-20(22-17-10-12-18(25-2)13-11-17)24(23-14)19(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23)
InChIKeyTURAYONOZSNMHE-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.39
Rot. Bonds5

About 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine

2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine (PubChem CID 10616575) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
PubChem CID10616575
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
SMILESCOc1ccc(Nc2nc(C)nn2C(=C2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H20N4O/c1-14-21-20(22-17-10-12-18(25-2)13-11-17)24(23-14)19(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23)
InChIKeyTURAYONOZSNMHE-UHFFFAOYSA-N
XLogP4.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(furan-2-yl)ethenyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine
CID 100966994
[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 11724379
N-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-amine
CID 12629169
1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone
CID 10090667
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine (CID 10616575) is 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine is COc1ccc(Nc2nc(C)nn2C(=C2CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is TURAYONOZSNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-21-20(22-17-10-12-18(25-2)13-11-17)24(23-14)19(16-8-9-16)15-6-4-3-5-7-15/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine?
2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 332.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylidene(phenyl)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 10616575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).