5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C15H25N5O — CID 69236962

IUPAC5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCCCc1nc(N)n2c(=O)[nH]nc2c1CCCCC
InChIInChI=1S/C15H25N5O/c1-3-5-7-9-11-12(10-8-6-4-2)17-14(16)20-13(11)18-19-15(20)21/h3-10H2,1-2H3,(H2,16,17)(H,19,21)
InChIKeyBWZPRMFNZIALJK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.47
Rot. Bonds8

About 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 69236962) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID69236962
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCCCc1nc(N)n2c(=O)[nH]nc2c1CCCCC
InChIInChI=1S/C15H25N5O/c1-3-5-7-9-11-12(10-8-6-4-2)17-14(16)20-13(11)18-19-15(20)21/h3-10H2,1-2H3,(H2,16,17)(H,19,21)
InChIKeyBWZPRMFNZIALJK-UHFFFAOYSA-N
XLogP2.47
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 69236962) is 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCCCc1nc(N)n2c(=O)[nH]nc2c1CCCCC.
What is the InChIKey of 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is BWZPRMFNZIALJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-5-7-9-11-12(10-8-6-4-2)17-14(16)20-13(11)18-19-15(20)21/h3-10H2,1-2H3,(H2,16,17)(H,19,21).
What are the key properties of 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 291.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7,8-dipentyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 69236962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).