5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one

C9H14N4O — CID 7213916

IUPAC5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NC1CCCC1
InChIInChI=1S/C9H14N4O/c1-6-8(11-9(14)13-12-6)10-7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,10,11,13,14)
InChIKeyPQSQRYYXSFMWPS-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.83
Rot. Bonds2

About 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one

5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 7213916) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID7213916
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NC1CCCC1
InChIInChI=1S/C9H14N4O/c1-6-8(11-9(14)13-12-6)10-7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,10,11,13,14)
InChIKeyPQSQRYYXSFMWPS-UHFFFAOYSA-N
XLogP0.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one 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 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one (CID 7213916) is 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1NC1CCCC1.
What is the InChIKey of 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is PQSQRYYXSFMWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-8(11-9(14)13-12-6)10-7-4-2-3-5-7/h7H,2-5H2,1H3,(H2,10,11,13,14).
What are the key properties of 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 194.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 7213916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).