2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H15N5O — CID 155534565

IUPAC2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(C3CC3)c(Cc3ccccc3)c(=O)n2[nH]1
InChIInChI=1S/C15H15N5O/c16-14-18-15-17-12(10-6-7-10)11(13(21)20(15)19-14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,16,17,18,19)
InChIKeyYKJJHGIACRBDKH-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155534565) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155534565
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(C3CC3)c(Cc3ccccc3)c(=O)n2[nH]1
InChIInChI=1S/C15H15N5O/c16-14-18-15-17-12(10-6-7-10)11(13(21)20(15)19-14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,16,17,18,19)
InChIKeyYKJJHGIACRBDKH-UHFFFAOYSA-N
XLogP1.47
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-5-Chloro[1,2,4]triazolo[1,5-A]pyrimidin-7(3h)-One
CID 53338871
2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389902
2-amino-6-[(3-bromophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155554106
2-amino-5-cyclopropyl-6-[(3-iodophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155562719
2-phenethyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 935179
2-amino-6-[(3-chlorophenyl)methyl]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389636
2-amino-6-[(3-chlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389637
2-amino-6-[(3-chlorophenyl)methyl]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389641
6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389660
2-amino-5-butyl-6-[(3-chlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389710
2-amino-6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389845
2-amino-6-[(3-chlorophenyl)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389980

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155534565) is 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2nc(C3CC3)c(Cc3ccccc3)c(=O)n2[nH]1.
What is the InChIKey of 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YKJJHGIACRBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-14-18-15-17-12(10-6-7-10)11(13(21)20(15)19-14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H3,16,17,18,19).
What are the key properties of 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 281.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155534565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).