N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide

C11H16N6O — CID 56910576

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cn[nH]n1
InChIInChI=1S/C11H16N6O/c1-3-5-17(8-10-12-4-6-16(10)2)11(18)9-7-13-15-14-9/h4,6-7H,3,5,8H2,1-2H3,(H,13,14,15)
InChIKeyCHDTZYPIGYQZGV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.59
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide (PubChem CID 56910576) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide
PubChem CID56910576
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cn[nH]n1
InChIInChI=1S/C11H16N6O/c1-3-5-17(8-10-12-4-6-16(10)2)11(18)9-7-13-15-14-9/h4,6-7H,3,5,8H2,1-2H3,(H,13,14,15)
InChIKeyCHDTZYPIGYQZGV-UHFFFAOYSA-N
XLogP0.59
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-3-(2H-triazol-4-ylmethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 44128553
1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 42465167
N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-methyl-1H-imidazole-4-carboxamide
CID 91923835
1-cyclopropyl-N-{1-[(1-methyl-1H-imidazol-4-yl)methyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
CID 132219997
1-(2-aminoethyl)-N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70733623
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70752750
N-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 91628978
1-(cyclohexylmethyl)-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 42097962
1-(2-aminoethyl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 70739044
1-(2-aminoethyl)-N-[(1-propyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70744818
N-(Cyclopropylmethyl)-1-[1-(1-methyl-1H-imidazole-2-carbonyl)azetidin-3-YL]-1H-1,2,3-triazole-4-carboxamide
CID 124048014
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide (CID 56910576) is N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide is CCCN(Cc1nccn1C)C(=O)c1cn[nH]n1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide?
The InChIKey is CHDTZYPIGYQZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-5-17(8-10-12-4-6-16(10)2)11(18)9-7-13-15-14-9/h4,6-7H,3,5,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-propyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 56910576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).