5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H14N4O — CID 1474418

IUPAC5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc[nH]n2c(=O)c1C/C=C/c1ccccc1
InChIInChI=1S/C15H14N4O/c1-11-13(9-5-8-12-6-3-2-4-7-12)14(20)19-15(18-11)16-10-17-19/h2-8,10H,9H2,1H3,(H,16,17,18)/b8-5+
InChIKeyGKKAEGQLKWWKAV-VMPITWQZSA-N
MW266.30 g/mol
LogP1.98
Rot. Bonds3

About 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1474418) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1474418
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc[nH]n2c(=O)c1C/C=C/c1ccccc1
InChIInChI=1S/C15H14N4O/c1-11-13(9-5-8-12-6-3-2-4-7-12)14(20)19-15(18-11)16-10-17-19/h2-8,10H,9H2,1H3,(H,16,17,18)/b8-5+
InChIKeyGKKAEGQLKWWKAV-VMPITWQZSA-N
XLogP1.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
6-Benzyl-5-Chloro[1,2,4]triazolo[1,5-A]pyrimidin-7(3h)-One
CID 53338871
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
2-amino-5-cyclopropyl-6-[(3-iodophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155562719
2-(benzylsulfanyl)-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457477
2-(benzylsulfanyl)-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457478
2-phenethyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 935179
5-Phenyltetrazolo[1,5-A]pyrimidin-7-Ol
CID 2077879
2-amino-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 681947
2-benzyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 935434
6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1830568
2-[(2-Fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1943193

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1474418) is 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc[nH]n2c(=O)c1C/C=C/c1ccccc1.
What is the InChIKey of 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GKKAEGQLKWWKAV-VMPITWQZSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-13(9-5-8-12-6-3-2-4-7-12)14(20)19-15(18-11)16-10-17-19/h2-8,10H,9H2,1H3,(H,16,17,18)/b8-5+.
What are the key properties of 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 266.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(E)-3-phenylprop-2-enyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1474418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).