2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one

C10H13N5O — CID 58603065

IUPAC2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESNc1nc(=O)n2ccn(C3CCCC3)c2n1
InChIInChI=1S/C10H13N5O/c11-8-12-9-14(7-3-1-2-4-7)5-6-15(9)10(16)13-8/h5-7H,1-4H2,(H2,11,13,16)
InChIKeyQCPGDSKHYGQACQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.59
Rot. Bonds1

About 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603065) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603065
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESNc1nc(=O)n2ccn(C3CCCC3)c2n1
InChIInChI=1S/C10H13N5O/c11-8-12-9-14(7-3-1-2-4-7)5-6-15(9)10(16)13-8/h5-7H,1-4H2,(H2,11,13,16)
InChIKeyQCPGDSKHYGQACQ-UHFFFAOYSA-N
XLogP0.59
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one (CID 58603065) is 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one is Nc1nc(=O)n2ccn(C3CCCC3)c2n1.
What is the InChIKey of 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is QCPGDSKHYGQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-8-12-9-14(7-3-1-2-4-7)5-6-15(9)10(16)13-8/h5-7H,1-4H2,(H2,11,13,16).
What are the key properties of 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 219.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).