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

C17H17N7 — CID 30039075

IUPAC5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2ccc(-n3cccn3)cc2)n2ncnc2n1
InChIInChI=1S/C17H17N7/c1-13-11-16(24-17(22-13)19-12-21-24)18-9-7-14-3-5-15(6-4-14)23-10-2-8-20-23/h2-6,8,10-12,18H,7,9H2,1H3
InChIKeyICAQQFKLPYCJHF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.27
Rot. Bonds5

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

5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 30039075) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID30039075
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2ccc(-n3cccn3)cc2)n2ncnc2n1
InChIInChI=1S/C17H17N7/c1-13-11-16(24-17(22-13)19-12-21-24)18-9-7-14-3-5-15(6-4-14)23-10-2-8-20-23/h2-6,8,10-12,18H,7,9H2,1H3
InChIKeyICAQQFKLPYCJHF-UHFFFAOYSA-N
XLogP2.27
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 30039075) is 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCc2ccc(-n3cccn3)cc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ICAQQFKLPYCJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-13-11-16(24-17(22-13)19-12-21-24)18-9-7-14-3-5-15(6-4-14)23-10-2-8-20-23/h2-6,8,10-12,18H,7,9H2,1H3.
What are the key properties of 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 319.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 30039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).