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

C12H10ClN5 — CID 974684

IUPAC7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1
InChIInChI=1S/C12H10ClN5/c1-7-6-10(8-2-4-9(13)5-3-8)18-12(15-7)16-11(14)17-18/h2-6H,1H3,(H2,14,17)
InChIKeyISLNRDBSNQKMLC-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.34
Rot. Bonds1

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

7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 974684) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID974684
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1
InChIInChI=1S/C12H10ClN5/c1-7-6-10(8-2-4-9(13)5-3-8)18-12(15-7)16-11(14)17-18/h2-6H,1H3,(H2,14,17)
InChIKeyISLNRDBSNQKMLC-UHFFFAOYSA-N
XLogP2.34
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 974684) is 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ISLNRDBSNQKMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-7-6-10(8-2-4-9(13)5-3-8)18-12(15-7)16-11(14)17-18/h2-6H,1H3,(H2,14,17).
What are the key properties of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 259.70 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 974684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).