2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide

C10H16N4O2 — CID 136538538

IUPAC2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCC2CCCO2)n(C)n1
InChIInChI=1S/C10H16N4O2/c1-7-12-9(14(2)13-7)10(15)11-6-8-4-3-5-16-8/h8H,3-6H2,1-2H3,(H,11,15)
InChIKeyHYKUCTWLDLIGNM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.03
Rot. Bonds3

About 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide

2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 136538538) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID136538538
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCC2CCCO2)n(C)n1
InChIInChI=1S/C10H16N4O2/c1-7-12-9(14(2)13-7)10(15)11-6-8-4-3-5-16-8/h8H,3-6H2,1-2H3,(H,11,15)
InChIKeyHYKUCTWLDLIGNM-UHFFFAOYSA-N
XLogP0.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219
4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125435112
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068839
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide (CID 136538538) is 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCC2CCCO2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is HYKUCTWLDLIGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-12-9(14(2)13-7)10(15)11-6-8-4-3-5-16-8/h8H,3-6H2,1-2H3,(H,11,15).
What are the key properties of 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136538538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).