N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C10H12N6O — CID 146086697

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H12N6O/c17-10(11-4-8-12-5-13-15-8)9-6-2-1-3-7(6)14-16-9/h5H,1-4H2,(H,11,17)(H,14,16)(H,12,13,15)
InChIKeyLFSVPXNNQAVMEH-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.05
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 146086697) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID146086697
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H12N6O/c17-10(11-4-8-12-5-13-15-8)9-6-2-1-3-7(6)14-16-9/h5H,1-4H2,(H,11,17)(H,14,16)(H,12,13,15)
InChIKeyLFSVPXNNQAVMEH-UHFFFAOYSA-N
XLogP-0.05
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-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-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700787
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 146086697) is N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCc1ncn[nH]1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LFSVPXNNQAVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c17-10(11-4-8-12-5-13-15-8)9-6-2-1-3-7(6)14-16-9/h5H,1-4H2,(H,11,17)(H,14,16)(H,12,13,15).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 232.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 146086697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).