5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide

C8H12N4O — CID 130736115

IUPAC5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1C[C@H]1C
InChIInChI=1S/C8H12N4O/c1-4-3-6(4)9-8(13)7-5(2)10-12-11-7/h4,6H,3H2,1-2H3,(H,9,13)(H,10,11,12)/t4-,6-/m1/s1
InChIKeyLOBSJESUCYYTHG-INEUFUBQSA-N
MW180.21 g/mol
LogP0.25
Rot. Bonds2

About 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide

5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide (PubChem CID 130736115) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide
PubChem CID130736115
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@@H]1C[C@H]1C
InChIInChI=1S/C8H12N4O/c1-4-3-6(4)9-8(13)7-5(2)10-12-11-7/h4,6H,3H2,1-2H3,(H,9,13)(H,10,11,12)/t4-,6-/m1/s1
InChIKeyLOBSJESUCYYTHG-INEUFUBQSA-N
XLogP0.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-carboxamide
CID 62408257
5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
CID 133266154
4-amino-5-cyclopropyl-N-(2-methylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 62396873
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methyl-2H-triazole-4-carboxamide
CID 122570390
5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
CID 110691624
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
4-amino-1-ethyl-N-(2-methylcyclopropyl)pyrazole-3-carboxamide
CID 65358265
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986
N-[(1R,2R,5S)-2-methoxy-5-[2-(1,2,4-triazol-1-yl)ethylcarbamoyl]cyclohexyl]-5-methyl-2H-triazole-4-carboxamide
CID 162633949
3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide
CID 126987776
3-methyl-N-(2-methylcyclopropyl)-1H-pyrrole-2-carboxamide
CID 130627052
N-[3-(dimethylamino)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691640

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide (CID 130736115) is 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N[C@@H]1C[C@H]1C.
What is the InChIKey of 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide?
The InChIKey is LOBSJESUCYYTHG-INEUFUBQSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-3-6(4)9-8(13)7-5(2)10-12-11-7/h4,6H,3H2,1-2H3,(H,9,13)(H,10,11,12)/t4-,6-/m1/s1.
What are the key properties of 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide?
5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 130736115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).