N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

C11H20N6O2 — CID 15116909

IUPACN-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCNn1c(N(C)C)nn(C(=O)NC2CCCC2)c1=O
InChIInChI=1S/C11H20N6O2/c1-12-16-9(15(2)3)14-17(11(16)19)10(18)13-8-6-4-5-7-8/h8,12H,4-7H2,1-3H3,(H,13,18)
InChIKeyBHUDEQWAGNXBOI-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.22
Rot. Bonds3

About N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 15116909) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID15116909
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCNn1c(N(C)C)nn(C(=O)NC2CCCC2)c1=O
InChIInChI=1S/C11H20N6O2/c1-12-16-9(15(2)3)14-17(11(16)19)10(18)13-8-6-4-5-7-8/h8,12H,4-7H2,1-3H3,(H,13,18)
InChIKeyBHUDEQWAGNXBOI-UHFFFAOYSA-N
XLogP-0.22
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-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-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (CID 15116909) is N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is CNn1c(N(C)C)nn(C(=O)NC2CCCC2)c1=O.
What is the InChIKey of N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is BHUDEQWAGNXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-12-16-9(15(2)3)14-17(11(16)19)10(18)13-8-6-4-5-7-8/h8,12H,4-7H2,1-3H3,(H,13,18).
What are the key properties of N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 15116909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).