6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one

C17H10Cl2FN5O — CID 7475995

IUPAC6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2FN5O/c18-11-5-4-10(14(19)6-11)8-24-9-21-16-15(17(24)26)22-23-25(16)13-3-1-2-12(20)7-13/h1-7,9H,8H2
InChIKeyASMTXMHEUMPBPK-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.47
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one

6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 7475995) has the molecular formula C17H10Cl2FN5O and a molecular weight of 390.21 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID7475995
Molecular FormulaC17H10Cl2FN5O
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2FN5O/c18-11-5-4-10(14(19)6-11)8-24-9-21-16-15(17(24)26)22-23-25(16)13-3-1-2-12(20)7-13/h1-7,9H,8H2
InChIKeyASMTXMHEUMPBPK-UHFFFAOYSA-N
XLogP3.47
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159336
3-(3-chlorophenyl)-6-[(2-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869662
6-[(2-chlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159317
3-(3-fluorophenyl)-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 7475957
3-(3-chlorophenyl)-6-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869665
2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7200001
3-(3-fluorophenyl)-6-[(3-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 7475967
6-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
CID 7111174
6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
CID 3245836
3-[(2-chlorophenyl)methyl]-6-[(2,5-difluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331752
2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-propan-2-ylacetamide
CID 7475905
3-(4-bromophenyl)-6-[(2-chloro-6-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 40865092

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one (CID 7475995) is 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one is O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ASMTXMHEUMPBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN5O/c18-11-5-4-10(14(19)6-11)8-24-9-21-16-15(17(24)26)22-23-25(16)13-3-1-2-12(20)7-13/h1-7,9H,8H2.
What are the key properties of 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one?
6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 390.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 7475995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).