N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide

C12H18N6O — CID 56739950

IUPACN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ncc[nH]1)c1ncnn1C
InChIInChI=1S/C12H18N6O/c1-8(2)6-9(11-15-7-16-18(11)3)17-12(19)10-13-4-5-14-10/h4-5,7-9H,6H2,1-3H3,(H,13,14)(H,17,19)
InChIKeyLOPDPHGPPDHSBQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.06
Rot. Bonds5

About N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide

N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide (PubChem CID 56739950) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide
PubChem CID56739950
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ncc[nH]1)c1ncnn1C
InChIInChI=1S/C12H18N6O/c1-8(2)6-9(11-15-7-16-18(11)3)17-12(19)10-13-4-5-14-10/h4-5,7-9H,6H2,1-3H3,(H,13,14)(H,17,19)
InChIKeyLOPDPHGPPDHSBQ-UHFFFAOYSA-N
XLogP1.06
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
3-(1H-imidazol-2-yl)-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]piperidine
CID 70763873
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-methyl-1H-imidazole-2-carboxamide
CID 91922592
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125443784
1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
CID 164633874
N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 164639132
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 128183320
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128994456
[2-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-oxoethyl]methylamine dihydrochloride
CID 72915915
2-[5-(1-amino-2-methylpropyl)-3-methyl-1,2,4-triazol-1-yl]-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 168452780

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide (CID 56739950) is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide is CC(C)CC(NC(=O)c1ncc[nH]1)c1ncnn1C.
What is the InChIKey of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide?
The InChIKey is LOPDPHGPPDHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)6-9(11-15-7-16-18(11)3)17-12(19)10-13-4-5-14-10/h4-5,7-9H,6H2,1-3H3,(H,13,14)(H,17,19).
What are the key properties of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide?
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 56739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).