N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide

C8H13N5O — CID 131036378

IUPACN-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]n2)CN1
InChIInChI=1S/C8H13N5O/c1-5-2-6(3-9-5)11-8(14)7-4-10-13-12-7/h4-6,9H,2-3H2,1H3,(H,11,14)(H,10,12,13)
InChIKeyVDPXGYXTXVTMDS-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.72
Rot. Bonds2

About N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide

N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide (PubChem CID 131036378) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
PubChem CID131036378
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]n2)CN1
InChIInChI=1S/C8H13N5O/c1-5-2-6(3-9-5)11-8(14)7-4-10-13-12-7/h4-6,9H,2-3H2,1H3,(H,11,14)(H,10,12,13)
InChIKeyVDPXGYXTXVTMDS-UHFFFAOYSA-N
XLogP-0.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 113226189
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988
N-propyl-2H-triazole-4-carboxamide
CID 54219715

Frequently Asked Questions

What is the IUPAC name of N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide (CID 131036378) is N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide is CC1CC(NC(=O)c2cn[nH]n2)CN1.
What is the InChIKey of N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is VDPXGYXTXVTMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5-2-6(3-9-5)11-8(14)7-4-10-13-12-7/h4-6,9H,2-3H2,1H3,(H,11,14)(H,10,12,13).
What are the key properties of N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide?
N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 131036378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).