2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine

C19H16N6 — CID 10830124

IUPAC2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine
SMILESCc1ccc(Cn2nc(-c3cnccn3)nc2-c2cccnc2)cc1
InChIInChI=1S/C19H16N6/c1-14-4-6-15(7-5-14)13-25-19(16-3-2-8-20-11-16)23-18(24-25)17-12-21-9-10-22-17/h2-12H,13H2,1H3
InChIKeyMFTIEKPKVHOYHF-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.15
Rot. Bonds4

About 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine

2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 10830124) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine
PubChem CID10830124
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine
SMILESCc1ccc(Cn2nc(-c3cnccn3)nc2-c2cccnc2)cc1
InChIInChI=1S/C19H16N6/c1-14-4-6-15(7-5-14)13-25-19(16-3-2-8-20-11-16)23-18(24-25)17-12-21-9-10-22-17/h2-12H,13H2,1H3
InChIKeyMFTIEKPKVHOYHF-UHFFFAOYSA-N
XLogP3.15
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine (CID 10830124) is 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine is Cc1ccc(Cn2nc(-c3cnccn3)nc2-c2cccnc2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is MFTIEKPKVHOYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-14-4-6-15(7-5-14)13-25-19(16-3-2-8-20-11-16)23-18(24-25)17-12-21-9-10-22-17/h2-12H,13H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine?
2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 328.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 10830124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).