2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C16H17N5O — CID 155560784

IUPAC2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(Cc2c(C3CC3)nc3nc(N)[nH]n3c2=O)c1
InChIInChI=1S/C16H17N5O/c1-9-3-2-4-10(7-9)8-12-13(11-5-6-11)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,11H,5-6,8H2,1H3,(H3,17,18,19,20)
InChIKeyYJQISPMIWAOWOU-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.78
Rot. Bonds3

About 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155560784) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155560784
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(Cc2c(C3CC3)nc3nc(N)[nH]n3c2=O)c1
InChIInChI=1S/C16H17N5O/c1-9-3-2-4-10(7-9)8-12-13(11-5-6-11)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,11H,5-6,8H2,1H3,(H3,17,18,19,20)
InChIKeyYJQISPMIWAOWOU-UHFFFAOYSA-N
XLogP1.78
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155560784) is 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cccc(Cc2c(C3CC3)nc3nc(N)[nH]n3c2=O)c1.
What is the InChIKey of 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YJQISPMIWAOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-3-2-4-10(7-9)8-12-13(11-5-6-11)18-16-19-15(17)20-21(16)14(12)22/h2-4,7,11H,5-6,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 295.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-6-[(3-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155560784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).