2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile

C16H22N6O — CID 134072975

IUPAC2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile
SMILESCC(C)N1CCN(CC#N)C2(CCN(c3cnccn3)C2)C1=O
InChIInChI=1S/C16H22N6O/c1-13(2)22-10-9-21(8-4-17)16(15(22)23)3-7-20(12-16)14-11-18-5-6-19-14/h5-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyBCVXMNYDYZDXRA-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.50
Rot. Bonds3

About 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile

2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile (PubChem CID 134072975) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile
PubChem CID134072975
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile
SMILESCC(C)N1CCN(CC#N)C2(CCN(c3cnccn3)C2)C1=O
InChIInChI=1S/C16H22N6O/c1-13(2)22-10-9-21(8-4-17)16(15(22)23)3-7-20(12-16)14-11-18-5-6-19-14/h5-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyBCVXMNYDYZDXRA-UHFFFAOYSA-N
XLogP0.50
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile?
The IUPAC name of 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile (CID 134072975) is 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile.
What is the SMILES notation for 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile?
The canonical SMILES for 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile is CC(C)N1CCN(CC#N)C2(CCN(c3cnccn3)C2)C1=O.
What is the InChIKey of 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile?
The InChIKey is BCVXMNYDYZDXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13(2)22-10-9-21(8-4-17)16(15(22)23)3-7-20(12-16)14-11-18-5-6-19-14/h5-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile?
2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile has a molecular weight of 314.39 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-oxo-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl)acetonitrile is sourced from PubChem (CID 134072975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).