6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C17H14N8 — CID 59320262

IUPAC6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(-c2ccc3nnc(Cc4c[nH]c5ncccc45)n3n2)cn1
InChIInChI=1S/C17H14N8/c1-24-10-12(9-20-24)14-4-5-15-21-22-16(25(15)23-14)7-11-8-19-17-13(11)3-2-6-18-17/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeySWKDQTACIUMMCD-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.99
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 59320262) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID59320262
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(-c2ccc3nnc(Cc4c[nH]c5ncccc45)n3n2)cn1
InChIInChI=1S/C17H14N8/c1-24-10-12(9-20-24)14-4-5-15-21-22-16(25(15)23-14)7-11-8-19-17-13(11)3-2-6-18-17/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeySWKDQTACIUMMCD-UHFFFAOYSA-N
XLogP1.99
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 59320262) is 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cc(-c2ccc3nnc(Cc4c[nH]c5ncccc45)n3n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SWKDQTACIUMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8/c1-24-10-12(9-20-24)14-4-5-15-21-22-16(25(15)23-14)7-11-8-19-17-13(11)3-2-6-18-17/h2-6,8-10H,7H2,1H3,(H,18,19).
What are the key properties of 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 330.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 59320262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).