3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

C16H15N7O — CID 70677533

IUPAC3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCOc1ccc(Cn2nnc3ncc(-c4cnn(C)c4)nc32)cc1
InChIInChI=1S/C16H15N7O/c1-22-10-12(7-18-22)14-8-17-15-16(19-14)23(21-20-15)9-11-3-5-13(24-2)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyONQWNZBTZPQULG-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.68
Rot. Bonds4

About 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (PubChem CID 70677533) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
PubChem CID70677533
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCOc1ccc(Cn2nnc3ncc(-c4cnn(C)c4)nc32)cc1
InChIInChI=1S/C16H15N7O/c1-22-10-12(7-18-22)14-8-17-15-16(19-14)23(21-20-15)9-11-3-5-13(24-2)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyONQWNZBTZPQULG-UHFFFAOYSA-N
XLogP1.68
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (CID 70677533) is 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is COc1ccc(Cn2nnc3ncc(-c4cnn(C)c4)nc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The InChIKey is ONQWNZBTZPQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-22-10-12(7-18-22)14-8-17-15-16(19-14)23(21-20-15)9-11-3-5-13(24-2)6-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine has a molecular weight of 321.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 70677533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).