N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C17H14N6 — CID 56846717

IUPACN-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCc1cccc(Nc2nc3c(-c4cccnc4)nccn3n2)c1
InChIInChI=1S/C17H14N6/c1-12-4-2-6-14(10-12)20-17-21-16-15(13-5-3-7-18-11-13)19-8-9-23(16)22-17/h2-11H,1H3,(H,20,22)
InChIKeyUEUWPBVBYXWEGZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.24
Rot. Bonds3

About N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 56846717) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID56846717
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCc1cccc(Nc2nc3c(-c4cccnc4)nccn3n2)c1
InChIInChI=1S/C17H14N6/c1-12-4-2-6-14(10-12)20-17-21-16-15(13-5-3-7-18-11-13)19-8-9-23(16)22-17/h2-11H,1H3,(H,20,22)
InChIKeyUEUWPBVBYXWEGZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 56846717) is N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cc1cccc(Nc2nc3c(-c4cccnc4)nccn3n2)c1.
What is the InChIKey of N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is UEUWPBVBYXWEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-4-2-6-14(10-12)20-17-21-16-15(13-5-3-7-18-11-13)19-8-9-23(16)22-17/h2-11H,1H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 56846717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).