N,N-dimethyl-2H-triazole-4-carboxamide

C5H8N4O — CID 54553410

IUPACN,N-dimethyl-2H-triazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C5H8N4O/c1-9(2)5(10)4-3-6-8-7-4/h3H,1-2H3,(H,6,7,8)
InChIKeyZLLVLYLZJCTFTC-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.49
Rot. Bonds1

About N,N-dimethyl-2H-triazole-4-carboxamide

N,N-dimethyl-2H-triazole-4-carboxamide (PubChem CID 54553410) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N,N-dimethyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2H-triazole-4-carboxamide
PubChem CID54553410
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN,N-dimethyl-2H-triazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C5H8N4O/c1-9(2)5(10)4-3-6-8-7-4/h3H,1-2H3,(H,6,7,8)
InChIKeyZLLVLYLZJCTFTC-UHFFFAOYSA-N
XLogP-0.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2H-triazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2H-triazole-4-carboxamide (CID 54553410) is N,N-dimethyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2H-triazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2H-triazole-4-carboxamide is CN(C)C(=O)c1cn[nH]n1.
What is the InChIKey of N,N-dimethyl-2H-triazole-4-carboxamide?
The InChIKey is ZLLVLYLZJCTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9(2)5(10)4-3-6-8-7-4/h3H,1-2H3,(H,6,7,8).
What are the key properties of N,N-dimethyl-2H-triazole-4-carboxamide?
N,N-dimethyl-2H-triazole-4-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 54553410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).