7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

C19H17N5O2 — CID 95920779

IUPAC7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESCOc1cccc(Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1
InChIInChI=1S/C19H17N5O2/c1-26-16-9-5-6-14(12-16)13-24-19(25)23-11-10-17(21-18(23)22-24)20-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,21,22)
InChIKeyCFOHVYFOMXGUOJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.69
Rot. Bonds5

About 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (PubChem CID 95920779) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.

Molecular Properties

Compound Name7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
PubChem CID95920779
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESCOc1cccc(Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1
InChIInChI=1S/C19H17N5O2/c1-26-16-9-5-6-14(12-16)13-24-19(25)23-11-10-17(21-18(23)22-24)20-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,21,22)
InChIKeyCFOHVYFOMXGUOJ-UHFFFAOYSA-N
XLogP2.69
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-anilino-2-[[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 95920790
2-(7-anilino-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 94683438
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]urea
CID 86943665
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299636
2-[(3-methoxyphenyl)methyl]-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95920674
2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(3-methoxyphenyl)acetamide
CID 53201380
10-[(3-methoxyphenyl)methyl]-4,7-dimethyl-3-thia-1,5,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-9-one
CID 154681883
3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide
CID 42960917
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 55838761
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332

Frequently Asked Questions

What is the IUPAC name of 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The IUPAC name of 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (CID 95920779) is 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
What is the SMILES notation for 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The canonical SMILES for 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is COc1cccc(Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1.
What is the InChIKey of 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The InChIKey is CFOHVYFOMXGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-16-9-5-6-14(12-16)13-24-19(25)23-11-10-17(21-18(23)22-24)20-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,21,22).
What are the key properties of 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one has a molecular weight of 347.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is sourced from PubChem (CID 95920779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).