1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

C14H21N5O — CID 97398679

IUPAC1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C14H21N5O/c1-17-9-10-18(2)14(13(17)20)3-7-19(8-4-14)12-11-15-5-6-16-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyXXRKSFCTWDTDDL-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.22
Rot. Bonds1

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

1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97398679) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97398679
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C14H21N5O/c1-17-9-10-18(2)14(13(17)20)3-7-19(8-4-14)12-11-15-5-6-16-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyXXRKSFCTWDTDDL-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97398679) is 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is XXRKSFCTWDTDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-9-10-18(2)14(13(17)20)3-7-19(8-4-14)12-11-15-5-6-16-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 275.36 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97398679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).