3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

C17H15N7O — CID 59341790

IUPAC3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)cn1
InChIInChI=1S/C17H15N7O/c1-23-10-13(7-19-23)14-8-18-16-17(20-14)24(22-21-16)9-11-2-3-15-12(6-11)4-5-25-15/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyRDULYZJLNXXKAK-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.61
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (PubChem CID 59341790) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
PubChem CID59341790
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)cn1
InChIInChI=1S/C17H15N7O/c1-23-10-13(7-19-23)14-8-18-16-17(20-14)24(22-21-16)9-11-2-3-15-12(6-11)4-5-25-15/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyRDULYZJLNXXKAK-UHFFFAOYSA-N
XLogP1.61
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (CID 59341790) is 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)cn1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The InChIKey is RDULYZJLNXXKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-23-10-13(7-19-23)14-8-18-16-17(20-14)24(22-21-16)9-11-2-3-15-12(6-11)4-5-25-15/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine has a molecular weight of 333.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 59341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).