N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

C8H12N4O — CID 134577478

IUPACN,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCC2
InChIInChI=1S/C8H12N4O/c1-11(2)8(13)7-9-6-4-3-5-12(6)10-7/h3-5H2,1-2H3
InChIKeyHJAZTCJLGMJERC-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.07
Rot. Bonds1

About N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (PubChem CID 134577478) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
PubChem CID134577478
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCN(C)C(=O)c1nc2n(n1)CCC2
InChIInChI=1S/C8H12N4O/c1-11(2)8(13)7-9-6-4-3-5-12(6)10-7/h3-5H2,1-2H3
InChIKeyHJAZTCJLGMJERC-UHFFFAOYSA-N
XLogP-0.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (CID 134577478) is N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is CN(C)C(=O)c1nc2n(n1)CCC2.
What is the InChIKey of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The InChIKey is HJAZTCJLGMJERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11(2)8(13)7-9-6-4-3-5-12(6)10-7/h3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is sourced from PubChem (CID 134577478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).