1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide

C8H10N6O — CID 103859707

IUPAC1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cn(C)cn2)n[nH]1
InChIInChI=1S/C8H10N6O/c1-5-10-8(13-12-5)11-7(15)6-3-14(2)4-9-6/h3-4H,1-2H3,(H2,10,11,12,13,15)
InChIKeyBEBBFHYQGOUSEA-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.10
Rot. Bonds2

About 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide

1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide (PubChem CID 103859707) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide
PubChem CID103859707
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cn(C)cn2)n[nH]1
InChIInChI=1S/C8H10N6O/c1-5-10-8(13-12-5)11-7(15)6-3-14(2)4-9-6/h3-4H,1-2H3,(H2,10,11,12,13,15)
InChIKeyBEBBFHYQGOUSEA-UHFFFAOYSA-N
XLogP0.10
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide (CID 103859707) is 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide is Cc1nc(NC(=O)c2cn(C)cn2)n[nH]1.
What is the InChIKey of 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide?
The InChIKey is BEBBFHYQGOUSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-5-10-8(13-12-5)11-7(15)6-3-14(2)4-9-6/h3-4H,1-2H3,(H2,10,11,12,13,15).
What are the key properties of 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide?
1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide has a molecular weight of 206.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 103859707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).