1,5-dimethyl-1,2,4-triazole-3-carboxamide

C5H8N4O — CID 45084121

IUPAC1,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(N)=O)nn1C
InChIInChI=1S/C5H8N4O/c1-3-7-5(4(6)10)8-9(3)2/h1-2H3,(H2,6,10)
InChIKeyJSMOIXVVHMVMDE-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.78
Rot. Bonds1

About 1,5-dimethyl-1,2,4-triazole-3-carboxamide

1,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 45084121) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID45084121
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(N)=O)nn1C
InChIInChI=1S/C5H8N4O/c1-3-7-5(4(6)10)8-9(3)2/h1-2H3,(H2,6,10)
InChIKeyJSMOIXVVHMVMDE-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

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
3-bromo-1-(methoxymethyl)-1H-1,2,4-triazole-5-carboxamide
CID 82018847
Lwcuuclcxzuorj-uhfffaoysa-
CID 135697275
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 45084121) is 1,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(N)=O)nn1C.
What is the InChIKey of 1,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JSMOIXVVHMVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-7-5(4(6)10)8-9(3)2/h1-2H3,(H2,6,10).
What are the key properties of 1,5-dimethyl-1,2,4-triazole-3-carboxamide?
1,5-dimethyl-1,2,4-triazole-3-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-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 45084121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).