N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H9Cl2N5 — CID 1088126

IUPACN-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)n2ncnc2n1
InChIInChI=1S/C12H9Cl2N5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14/h2-6,18H,1H3
InChIKeyGINXDDVPBNPBRZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.48
Rot. Bonds2

About N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1088126) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1088126
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)n2ncnc2n1
InChIInChI=1S/C12H9Cl2N5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14/h2-6,18H,1H3
InChIKeyGINXDDVPBNPBRZ-UHFFFAOYSA-N
XLogP3.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1088126) is N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Cl)cc2Cl)n2ncnc2n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GINXDDVPBNPBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14/h2-6,18H,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1088126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).