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

C10H14N6O — CID 66284093

IUPAC7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNC1CCCC1Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H14N6O/c11-6-2-1-3-7(6)13-8-4-9-14-15-10(17)16(9)5-12-8/h4-7,13H,1-3,11H2,(H,15,17)
InChIKeyNJDQLJYZUXBLEM-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.29
Rot. Bonds2

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

7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284093) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284093
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNC1CCCC1Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H14N6O/c11-6-2-1-3-7(6)13-8-4-9-14-15-10(17)16(9)5-12-8/h4-7,13H,1-3,11H2,(H,15,17)
InChIKeyNJDQLJYZUXBLEM-UHFFFAOYSA-N
XLogP-0.29
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284093) is 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is NC1CCCC1Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NJDQLJYZUXBLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-6-2-1-3-7(6)13-8-4-9-14-15-10(17)16(9)5-12-8/h4-7,13H,1-3,11H2,(H,15,17).
What are the key properties of 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 234.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-aminocyclopentyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).