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

C11H18N4O — CID 121208034

IUPAC4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(C2CCCC2)c(=O)n1C1CNC1
InChIInChI=1S/C11H18N4O/c1-8-13-15(9-4-2-3-5-9)11(16)14(8)10-6-12-7-10/h9-10,12H,2-7H2,1H3
InChIKeyZRNDZGDZULPBBA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.61
Rot. Bonds2

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

4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one (PubChem CID 121208034) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one
PubChem CID121208034
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(C2CCCC2)c(=O)n1C1CNC1
InChIInChI=1S/C11H18N4O/c1-8-13-15(9-4-2-3-5-9)11(16)14(8)10-6-12-7-10/h9-10,12H,2-7H2,1H3
InChIKeyZRNDZGDZULPBBA-UHFFFAOYSA-N
XLogP0.61
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Azetidin-3-yl)-4,5-di(propan-2-yl)-1,2,4-triazol-3-one
CID 176773760
2-[2-(Pentan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55156305
2-[2-(Propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55157646
2-[2-(Ethylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55157647
2-[2-(Ethylamino)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935948
2-[2-(Propylamino)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935950
2-[2-(Methylamino)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936308
2-[2-(Cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936493
2-[2-(Butan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936496
2-[2-(Ethylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936644
2-[2-(Methylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936810
2-[2-(Propylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936984

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one (CID 121208034) is 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one is Cc1nn(C2CCCC2)c(=O)n1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one?
The InChIKey is ZRNDZGDZULPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-13-15(9-4-2-3-5-9)11(16)14(8)10-6-12-7-10/h9-10,12H,2-7H2,1H3.
What are the key properties of 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one?
4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one has a molecular weight of 222.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 121208034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).