4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one

C9H16N4O — CID 82840726

IUPAC4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
SMILESCNc1nn(C)c(=O)n1C1CCCC1
InChIInChI=1S/C9H16N4O/c1-10-8-11-12(2)9(14)13(8)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyQNPUCBGBDOMRQH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.74
Rot. Bonds2

About 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one

4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one (PubChem CID 82840726) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
PubChem CID82840726
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
SMILESCNc1nn(C)c(=O)n1C1CCCC1
InChIInChI=1S/C9H16N4O/c1-10-8-11-12(2)9(14)13(8)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyQNPUCBGBDOMRQH-UHFFFAOYSA-N
XLogP0.74
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one (CID 82840726) is 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one is CNc1nn(C)c(=O)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The InChIKey is QNPUCBGBDOMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-8-11-12(2)9(14)13(8)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one is sourced from PubChem (CID 82840726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).