2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H16N4O — CID 155559035

IUPAC2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C15H16N4O/c1-2-3-9-13-17-15-16-12(10-14(20)19(15)18-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,17,18)
InChIKeyBHXBXWXNVQEBHO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.43
Rot. Bonds4

About 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155559035) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155559035
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C15H16N4O/c1-2-3-9-13-17-15-16-12(10-14(20)19(15)18-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,17,18)
InChIKeyBHXBXWXNVQEBHO-UHFFFAOYSA-N
XLogP2.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155559035) is 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCCc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BHXBXWXNVQEBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-3-9-13-17-15-16-12(10-14(20)19(15)18-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,17,18).
What are the key properties of 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155559035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).