6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H10Cl2FN5O — CID 2034860

IUPAC6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(NCc3c(F)cccc3Cl)[nH]n2c(=O)c1Cl
InChIInChI=1S/C13H10Cl2FN5O/c1-6-10(15)11(22)21-13(18-6)19-12(20-21)17-5-7-8(14)3-2-4-9(7)16/h2-4H,5H2,1H3,(H2,17,18,19,20)
InChIKeyBGSCRYZXEZHLQQ-UHFFFAOYSA-N
MW342.16 g/mol
LogP2.78
Rot. Bonds3

About 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 2034860) has the molecular formula C13H10Cl2FN5O and a molecular weight of 342.16 g/mol. Its IUPAC name is 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID2034860
Molecular FormulaC13H10Cl2FN5O
Molecular Weight342.16 g/mol
Exact Mass341.02
IUPAC Name6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(NCc3c(F)cccc3Cl)[nH]n2c(=O)c1Cl
InChIInChI=1S/C13H10Cl2FN5O/c1-6-10(15)11(22)21-13(18-6)19-12(20-21)17-5-7-8(14)3-2-4-9(7)16/h2-4H,5H2,1H3,(H2,17,18,19,20)
InChIKeyBGSCRYZXEZHLQQ-UHFFFAOYSA-N
XLogP2.78
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

6-chloro-5-methyl-2-[(2-methylphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 1243494
2-[(3-bromophenyl)methylamino]-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 1266216
N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664744
5-[(3-chloro-2-methylanilino)methyl]-2-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53208041
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 4560706
5-[(3-chloro-4-methylanilino)methyl]-2-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53208039
6-benzyl-5-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610774
2-[(3-chlorophenyl)methylamino]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610648
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 2034860) is 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(NCc3c(F)cccc3Cl)[nH]n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BGSCRYZXEZHLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN5O/c1-6-10(15)11(22)21-13(18-6)19-12(20-21)17-5-7-8(14)3-2-4-9(7)16/h2-4H,5H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 342.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).