3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide

C5H9N5O — CID 51072261

IUPAC3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C5H9N5O/c1-10(2)4(11)3-7-5(6)9-8-3/h1-2H3,(H3,6,7,8,9)
InChIKeyLHFFZPOUFUWQOT-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.91
Rot. Bonds1

About 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide

3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 51072261) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID51072261
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C5H9N5O/c1-10(2)4(11)3-7-5(6)9-8-3/h1-2H3,(H3,6,7,8,9)
InChIKeyLHFFZPOUFUWQOT-UHFFFAOYSA-N
XLogP-0.91
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide (CID 51072261) is 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide is CN(C)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LHFFZPOUFUWQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10(2)4(11)3-7-5(6)9-8-3/h1-2H3,(H3,6,7,8,9).
What are the key properties of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 51072261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).