N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H14ClN7 — CID 133292386

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2cnn(-c3ccccc3Cl)c2)n2ncnc2n1
InChIInChI=1S/C16H14ClN7/c1-2-11-7-15(24-16(22-11)18-10-20-24)21-12-8-19-23(9-12)14-6-4-3-5-13(14)17/h3-10,21H,2H2,1H3
InChIKeySWNSWOOMYSHHQK-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133292386) has the molecular formula C16H14ClN7 and a molecular weight of 339.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133292386
Molecular FormulaC16H14ClN7
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2cnn(-c3ccccc3Cl)c2)n2ncnc2n1
InChIInChI=1S/C16H14ClN7/c1-2-11-7-15(24-16(22-11)18-10-20-24)21-12-8-19-23(9-12)14-6-4-3-5-13(14)17/h3-10,21H,2H2,1H3
InChIKeySWNSWOOMYSHHQK-UHFFFAOYSA-N
XLogP3.27
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133292386) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(Nc2cnn(-c3ccccc3Cl)c2)n2ncnc2n1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SWNSWOOMYSHHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7/c1-2-11-7-15(24-16(22-11)18-10-20-24)21-12-8-19-23(9-12)14-6-4-3-5-13(14)17/h3-10,21H,2H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133292386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).