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

C14H15N9 — CID 118466995

IUPAC3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile
SMILESCn1cc(Nc2nc(C3CCN(C#N)C3)cn3ncnc23)cn1
InChIInChI=1S/C14H15N9/c1-21-6-11(4-17-21)19-13-14-16-9-18-23(14)7-12(20-13)10-2-3-22(5-10)8-15/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,20)
InChIKeyIWYMAUXKNRKHJI-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.87
Rot. Bonds3

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

3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile (PubChem CID 118466995) has the molecular formula C14H15N9 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile
PubChem CID118466995
Molecular FormulaC14H15N9
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile
SMILESCn1cc(Nc2nc(C3CCN(C#N)C3)cn3ncnc23)cn1
InChIInChI=1S/C14H15N9/c1-21-6-11(4-17-21)19-13-14-16-9-18-23(14)7-12(20-13)10-2-3-22(5-10)8-15/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,20)
InChIKeyIWYMAUXKNRKHJI-UHFFFAOYSA-N
XLogP0.87
TPSA99.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

US10280184, Example E.1.5
CID 118466927
US10280184, Example F.1.22
CID 118456693
US10280184, Example A.1.7
CID 118456706
US10280184, Example E.1.10
CID 118456717
US10280184, Example D.1.1
CID 118466918
US10280184, Example A.1.1
CID 118466919
US10280184, Example D.1.2
CID 118466925
US10280184, Example F.1.44
CID 118466930
US10280184, Example E.1.8
CID 118466948
US10280184, Example E.1.3
CID 118467059
US10280184, Example E.1.2
CID 118467060
US10280184, Example E.1.1
CID 118467063

Frequently Asked Questions

What is the IUPAC name of 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile?
The IUPAC name of 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile (CID 118466995) is 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile is Cn1cc(Nc2nc(C3CCN(C#N)C3)cn3ncnc23)cn1.
What is the InChIKey of 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile?
The InChIKey is IWYMAUXKNRKHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N9/c1-21-6-11(4-17-21)19-13-14-16-9-18-23(14)7-12(20-13)10-2-3-22(5-10)8-15/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,20).
What are the key properties of 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile?
3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile has a molecular weight of 309.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carbonitrile is sourced from PubChem (CID 118466995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).