6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline

C17H13N9 — CID 59341841

IUPAC6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncncc5c4)c3n2)cn1
InChIInChI=1S/C17H13N9/c1-25-9-13(6-21-25)15-7-19-16-17(22-15)26(24-23-16)8-11-2-3-14-12(4-11)5-18-10-20-14/h2-7,9-10H,8H2,1H3
InChIKeyGOZJFYPHSFFUKS-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.61
Rot. Bonds3

About 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline

6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline (PubChem CID 59341841) has the molecular formula C17H13N9 and a molecular weight of 343.35 g/mol. Its IUPAC name is 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline.

Molecular Properties

Compound Name6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline
PubChem CID59341841
Molecular FormulaC17H13N9
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncncc5c4)c3n2)cn1
InChIInChI=1S/C17H13N9/c1-25-9-13(6-21-25)15-7-19-16-17(22-15)26(24-23-16)8-11-2-3-14-12(4-11)5-18-10-20-14/h2-7,9-10H,8H2,1H3
InChIKeyGOZJFYPHSFFUKS-UHFFFAOYSA-N
XLogP1.61
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline?
The IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline (CID 59341841) is 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline.
What is the SMILES notation for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline?
The canonical SMILES for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline is Cn1cc(-c2cnc3nnn(Cc4ccc5ncncc5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline?
The InChIKey is GOZJFYPHSFFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N9/c1-25-9-13(6-21-25)15-7-19-16-17(22-15)26(24-23-16)8-11-2-3-14-12(4-11)5-18-10-20-14/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline?
6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline has a molecular weight of 343.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline is sourced from PubChem (CID 59341841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).