[7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine

C19H15Cl2N5 — CID 11596123

IUPAC[7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C19H15Cl2N5/c1-11-15(10-22)17(14-8-7-13(20)9-16(14)21)26-19(23-11)24-18(25-26)12-5-3-2-4-6-12/h2-9H,10,22H2,1H3
InChIKeyLTTHKONSKZOOKY-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.53
Rot. Bonds3

About [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine

[7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11596123) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11596123
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC Name[7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C19H15Cl2N5/c1-11-15(10-22)17(14-8-7-13(20)9-16(14)21)26-19(23-11)24-18(25-26)12-5-3-2-4-6-12/h2-9H,10,22H2,1H3
InChIKeyLTTHKONSKZOOKY-UHFFFAOYSA-N
XLogP4.53
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11596123) is [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1nc2nc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is LTTHKONSKZOOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c1-11-15(10-22)17(14-8-7-13(20)9-16(14)21)26-19(23-11)24-18(25-26)12-5-3-2-4-6-12/h2-9H,10,22H2,1H3.
What are the key properties of [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
[7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 384.27 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11596123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).