N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide

C12H18N4O2 — CID 135616748

IUPACN-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide
SMILESCc1nnc(C(C)NC(=O)C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(10-12(18)14-8(2)15-16-10)13-11(17)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyKMYXPERRYZKKEC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds3

About N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide

N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide (PubChem CID 135616748) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide
PubChem CID135616748
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide
SMILESCc1nnc(C(C)NC(=O)C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(10-12(18)14-8(2)15-16-10)13-11(17)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyKMYXPERRYZKKEC-UHFFFAOYSA-N
XLogP0.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide 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-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide (CID 135616748) is N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide is Cc1nnc(C(C)NC(=O)C2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is KMYXPERRYZKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(10-12(18)14-8(2)15-16-10)13-11(17)9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,18).
What are the key properties of N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide?
N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 135616748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).