N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide

C24H22N4O2 — CID 55512888

IUPACN,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C24H22N4O2/c1-30-22-14-12-21(13-15-22)28(17-20-10-6-3-7-11-20)24(29)23-18-27(26-25-23)16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3
InChIKeyVOQLRDCOMJHAOK-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.18
Rot. Bonds7

About N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide

N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 55512888) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID55512888
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C24H22N4O2/c1-30-22-14-12-21(13-15-22)28(17-20-10-6-3-7-11-20)24(29)23-18-27(26-25-23)16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3
InChIKeyVOQLRDCOMJHAOK-UHFFFAOYSA-N
XLogP4.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 25368105
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134012327
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
1-benzyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 25057379
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-(4-fluorophenyl)-N-[[6-(1-phenylpropyl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 70298887
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 167873021
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 69168055

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide (CID 55512888) is N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(N(Cc2ccccc2)C(=O)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is VOQLRDCOMJHAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-22-14-12-21(13-15-22)28(17-20-10-6-3-7-11-20)24(29)23-18-27(26-25-23)16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3.
What are the key properties of N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide?
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55512888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).