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

C12H18N6O — CID 125157750

IUPAC1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cn(C)cn1)c1ncnn1C
InChIInChI=1S/C12H18N6O/c1-8(2)10(11-13-6-15-18(11)4)16-12(19)9-5-17(3)7-14-9/h5-8,10H,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyVVROTQNWLZCBHF-SNVBAGLBSA-N
MW262.32 g/mol
LogP0.68
Rot. Bonds4

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

1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide (PubChem CID 125157750) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
PubChem CID125157750
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cn(C)cn1)c1ncnn1C
InChIInChI=1S/C12H18N6O/c1-8(2)10(11-13-6-15-18(11)4)16-12(19)9-5-17(3)7-14-9/h5-8,10H,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyVVROTQNWLZCBHF-SNVBAGLBSA-N
XLogP0.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125174156
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
CID 125447722
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125157786
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
CID 118789621
5-fluoro-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442541
5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442540
2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 125172462
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
CID 122557182
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
CID 125436014
2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide (CID 125157750) is 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide is CC(C)[C@@H](NC(=O)c1cn(C)cn1)c1ncnn1C.
What is the InChIKey of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide?
The InChIKey is VVROTQNWLZCBHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)10(11-13-6-15-18(11)4)16-12(19)9-5-17(3)7-14-9/h5-8,10H,1-4H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide?
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 125157750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).