1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

C16H23N5O — CID 97398707

IUPAC1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC=CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C16H23N5O/c1-3-8-21-12-11-19(2)16(15(21)22)4-9-20(10-5-16)14-13-17-6-7-18-14/h3,6-7,13H,1,4-5,8-12H2,2H3
InChIKeyZYMSWAWADIVDGN-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.78
Rot. Bonds3

About 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97398707) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97398707
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC=CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C16H23N5O/c1-3-8-21-12-11-19(2)16(15(21)22)4-9-20(10-5-16)14-13-17-6-7-18-14/h3,6-7,13H,1,4-5,8-12H2,2H3
InChIKeyZYMSWAWADIVDGN-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97398707) is 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is C=CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is ZYMSWAWADIVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-8-21-12-11-19(2)16(15(21)22)4-9-20(10-5-16)14-13-17-6-7-18-14/h3,6-7,13H,1,4-5,8-12H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 301.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).