3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

C17H14N8 — CID 147969471

IUPAC3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(CC4=CCc5ncccc54)c3n2)cn1
InChIInChI=1S/C17H14N8/c1-24-9-12(7-20-24)15-8-19-16-17(21-15)25(23-22-16)10-11-4-5-14-13(11)3-2-6-18-14/h2-4,6-9H,5,10H2,1H3
InChIKeyIRBGJNIEXQZPQB-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.66
Rot. Bonds3

About 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (PubChem CID 147969471) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
PubChem CID147969471
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(CC4=CCc5ncccc54)c3n2)cn1
InChIInChI=1S/C17H14N8/c1-24-9-12(7-20-24)15-8-19-16-17(21-15)25(23-22-16)10-11-4-5-14-13(11)3-2-6-18-14/h2-4,6-9H,5,10H2,1H3
InChIKeyIRBGJNIEXQZPQB-UHFFFAOYSA-N
XLogP1.66
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (CID 147969471) is 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is Cn1cc(-c2cnc3nnn(CC4=CCc5ncccc54)c3n2)cn1.
What is the InChIKey of 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The InChIKey is IRBGJNIEXQZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8/c1-24-9-12(7-20-24)15-8-19-16-17(21-15)25(23-22-16)10-11-4-5-14-13(11)3-2-6-18-14/h2-4,6-9H,5,10H2,1H3.
What are the key properties of 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine has a molecular weight of 330.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-cyclopenta[b]pyridin-5-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 147969471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).