1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine

C22H20N4O — CID 177499742

IUPAC1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine
SMILESCOc1ccc(Cn2cc(N(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C22H20N4O/c1-27-21-14-12-18(13-15-21)16-25-17-22(23-24-25)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3
InChIKeyPVCGIPQAZQZGPD-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.80
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine

1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine (PubChem CID 177499742) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine
PubChem CID177499742
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine
SMILESCOc1ccc(Cn2cc(N(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C22H20N4O/c1-27-21-14-12-18(13-15-21)16-25-17-22(23-24-25)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3
InChIKeyPVCGIPQAZQZGPD-UHFFFAOYSA-N
XLogP4.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
CID 139220303
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
CID 69000286
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621
2-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]acetonitrile
CID 171338528
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 25368105
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine (CID 177499742) is 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine is COc1ccc(Cn2cc(N(c3ccccc3)c3ccccc3)nn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine?
The InChIKey is PVCGIPQAZQZGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-27-21-14-12-18(13-15-21)16-25-17-22(23-24-25)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine?
1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine has a molecular weight of 356.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine is sourced from PubChem (CID 177499742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).