3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile

C15H16N8 — CID 118456698

IUPAC3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile
SMILESCn1ccc(Nc2cc(C3CCN(C#N)C3)cn3ncnc23)n1
InChIInChI=1S/C15H16N8/c1-21-4-3-14(20-21)19-13-6-12(8-23-15(13)17-10-18-23)11-2-5-22(7-11)9-16/h3-4,6,8,10-11H,2,5,7H2,1H3,(H,19,20)
InChIKeyFQTDJPWNSFHZII-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.48
Rot. Bonds3

About 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile

3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile (PubChem CID 118456698) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile
PubChem CID118456698
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile
SMILESCn1ccc(Nc2cc(C3CCN(C#N)C3)cn3ncnc23)n1
InChIInChI=1S/C15H16N8/c1-21-4-3-14(20-21)19-13-6-12(8-23-15(13)17-10-18-23)11-2-5-22(7-11)9-16/h3-4,6,8,10-11H,2,5,7H2,1H3,(H,19,20)
InChIKeyFQTDJPWNSFHZII-UHFFFAOYSA-N
XLogP1.48
TPSA87.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile?
The IUPAC name of 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile (CID 118456698) is 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile is Cn1ccc(Nc2cc(C3CCN(C#N)C3)cn3ncnc23)n1.
What is the InChIKey of 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile?
The InChIKey is FQTDJPWNSFHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-21-4-3-14(20-21)19-13-6-12(8-23-15(13)17-10-18-23)11-2-5-22(7-11)9-16/h3-4,6,8,10-11H,2,5,7H2,1H3,(H,19,20).
What are the key properties of 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile?
3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile has a molecular weight of 308.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile is sourced from PubChem (CID 118456698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).