7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C18H14ClFN6 — CID 142426999

IUPAC7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(CF)n1
InChIInChI=1S/C18H14ClFN6/c1-10-6-12(7-14(8-20)23-10)15-16(11-2-4-13(19)5-3-11)24-18(21)26-9-22-25-17(15)26/h2-7,9H,8H2,1H3,(H2,21,24)
InChIKeySVIJRVNCNAYTOL-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.87
Rot. Bonds3

About 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 142426999) has the molecular formula C18H14ClFN6 and a molecular weight of 368.80 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID142426999
Molecular FormulaC18H14ClFN6
Molecular Weight368.80 g/mol
Exact Mass368.10
IUPAC Name7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(CF)n1
InChIInChI=1S/C18H14ClFN6/c1-10-6-12(7-14(8-20)23-10)15-16(11-2-4-13(19)5-3-11)24-18(21)26-9-22-25-17(15)26/h2-7,9H,8H2,1H3,(H2,21,24)
InChIKeySVIJRVNCNAYTOL-UHFFFAOYSA-N
XLogP3.87
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 142426999) is 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(Cl)cc3)nc(N)n3cnnc23)cc(CF)n1.
What is the InChIKey of 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is SVIJRVNCNAYTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6/c1-10-6-12(7-14(8-20)23-10)15-16(11-2-4-13(19)5-3-11)24-18(21)26-9-22-25-17(15)26/h2-7,9H,8H2,1H3,(H2,21,24).
What are the key properties of 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 368.80 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-8-[2-(fluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 142426999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).