1,5-dimethyltriazole-4-carboxamide

C5H8N4O — CID 82207950

IUPAC1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1C
InChIInChI=1S/C5H8N4O/c1-3-4(5(6)10)7-8-9(3)2/h1-2H3,(H2,6,10)
InChIKeyPJXSDUAVGOUPTJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.78
Rot. Bonds1

About 1,5-dimethyltriazole-4-carboxamide

1,5-dimethyltriazole-4-carboxamide (PubChem CID 82207950) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyltriazole-4-carboxamide
PubChem CID82207950
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1,5-dimethyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1C
InChIInChI=1S/C5H8N4O/c1-3-4(5(6)10)7-8-9(3)2/h1-2H3,(H2,6,10)
InChIKeyPJXSDUAVGOUPTJ-UHFFFAOYSA-N
XLogP-0.78
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide
CID 130636863
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172
3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 141072149
5-(4-chlorophenyl)-1-methyltriazole-4-carboxamide;ethane
CID 142869035
(3S,4S)-1-(1,5-dimethyltriazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951331
1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
CID 56943631
1,3,5-trimethylpyrazolo[5,4-c]pyridine-7-carboxamide
CID 137437270
3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide
CID 137274711
3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
CID 10954410
5-(benzylamino)-1-methyltriazole-4-carboxamide
CID 12745324
butan-2-yl 2-(4-carbamoyl-5-methyltriazol-1-yl)propanoate
CID 82202941

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltriazole-4-carboxamide?
The IUPAC name of 1,5-dimethyltriazole-4-carboxamide (CID 82207950) is 1,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyltriazole-4-carboxamide is Cc1c(C(N)=O)nnn1C.
What is the InChIKey of 1,5-dimethyltriazole-4-carboxamide?
The InChIKey is PJXSDUAVGOUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-4(5(6)10)7-8-9(3)2/h1-2H3,(H2,6,10).
What are the key properties of 1,5-dimethyltriazole-4-carboxamide?
1,5-dimethyltriazole-4-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 82207950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).