N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide

C16H19N7O2 — CID 131914732

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
SMILESCOCCn1cnnc1CN(C)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H19N7O2/c1-21(11-15-19-17-12-22(15)8-9-25-2)16(24)14-10-23(20-18-14)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyXRQGGNAFQWCWKR-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.78
Rot. Bonds7

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 131914732) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
PubChem CID131914732
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
SMILESCOCCn1cnnc1CN(C)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H19N7O2/c1-21(11-15-19-17-12-22(15)8-9-25-2)16(24)14-10-23(20-18-14)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyXRQGGNAFQWCWKR-UHFFFAOYSA-N
XLogP0.78
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72916109
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CID 131904939
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
N-methyl-N-(3-methylbutyl)-1-phenyltriazole-4-carboxamide
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N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 46576084
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
CID 103877146
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide
CID 56886594
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43066149

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide (CID 131914732) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide is COCCn1cnnc1CN(C)C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is XRQGGNAFQWCWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-21(11-15-19-17-12-22(15)8-9-25-2)16(24)14-10-23(20-18-14)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 131914732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).