1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide

C9H15N5O2 — CID 153443786

IUPAC1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCC(N)CC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)14-9(16)12-8(13-14)7(11)15/h5-6H,1-4,10H2,(H2,11,15)(H,12,13,16)
InChIKeyPEEDBAQFSBOIMP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.89
Rot. Bonds2

About 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide

1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 153443786) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID153443786
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nn(C2CCC(N)CC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)14-9(16)12-8(13-14)7(11)15/h5-6H,1-4,10H2,(H2,11,15)(H,12,13,16)
InChIKeyPEEDBAQFSBOIMP-UHFFFAOYSA-N
XLogP-0.89
TPSA119.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-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-cyclohexyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542380
4-[Amino(propanoyl)amino]-1-cyclohexyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 132210991
1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 137253124
N-[4-(3-aminopropanoylamino)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255355
N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255356
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
N-cyclohexyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774470
N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831987
N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849731
N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849733
N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849809
1-methyl-5-oxo-N-pentyl-4H-1,2,4-triazole-3-carboxamide
CID 136849812

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 153443786) is 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide is NC(=O)c1nn(C2CCC(N)CC2)c(=O)[nH]1.
What is the InChIKey of 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is PEEDBAQFSBOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)14-9(16)12-8(13-14)7(11)15/h5-6H,1-4,10H2,(H2,11,15)(H,12,13,16).
What are the key properties of 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 153443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).