5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide

C9H17N5O — CID 14772885

IUPAC5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C9H17N5O/c1-6(2)10-8(15)7-11-12-9(13(3)4)14(7)5/h6H,1-5H3,(H,10,15)
InChIKeyHHLXNSGQYVJCRY-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.02
Rot. Bonds3

About 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide

5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 14772885) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID14772885
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C9H17N5O/c1-6(2)10-8(15)7-11-12-9(13(3)4)14(7)5/h6H,1-5H3,(H,10,15)
InChIKeyHHLXNSGQYVJCRY-UHFFFAOYSA-N
XLogP0.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53565306
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2-sulfanylethyl)acetamide
CID 177680405
3-[(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
CID 86801824
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 99972209
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 119036946
N-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 136580102
N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
CID 14772881
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
N-hexyl-4-methyl-1,2,4-triazole-3-carboxamide
CID 162398243
N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
CID 162398462

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 14772885) is 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide is CC(C)NC(=O)c1nnc(N(C)C)n1C.
What is the InChIKey of 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is HHLXNSGQYVJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(2)10-8(15)7-11-12-9(13(3)4)14(7)5/h6H,1-5H3,(H,10,15).
What are the key properties of 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14772885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).