7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H15N5O2 — CID 66283299

IUPAC7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCC3CCCC3O)ncn12
InChIInChI=1S/C11H15N5O2/c17-8-3-1-2-7(8)5-12-9-4-10-14-15-11(18)16(10)6-13-9/h4,6-8,12,17H,1-3,5H2,(H,15,18)
InChIKeyOBNRFJCFDUIEHS-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.01
Rot. Bonds3

About 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283299) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283299
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCC3CCCC3O)ncn12
InChIInChI=1S/C11H15N5O2/c17-8-3-1-2-7(8)5-12-9-4-10-14-15-11(18)16(10)6-13-9/h4,6-8,12,17H,1-3,5H2,(H,15,18)
InChIKeyOBNRFJCFDUIEHS-UHFFFAOYSA-N
XLogP-0.01
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-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 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283299) is 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NCC3CCCC3O)ncn12.
What is the InChIKey of 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OBNRFJCFDUIEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-8-3-1-2-7(8)5-12-9-4-10-14-15-11(18)16(10)6-13-9/h4,6-8,12,17H,1-3,5H2,(H,15,18).
What are the key properties of 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).