7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane

C15H27N5 — CID 118784192

IUPAC7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCCN(CCn2cccn2)CC12CCNCC2
InChIInChI=1S/C15H27N5/c1-18-9-3-10-19(12-13-20-11-2-6-17-20)14-15(18)4-7-16-8-5-15/h2,6,11,16H,3-5,7-10,12-14H2,1H3
InChIKeyJQRXEWXSEQHVOG-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.64
Rot. Bonds3

About 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane

7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 118784192) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane
PubChem CID118784192
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCCN(CCn2cccn2)CC12CCNCC2
InChIInChI=1S/C15H27N5/c1-18-9-3-10-19(12-13-20-11-2-6-17-20)14-15(18)4-7-16-8-5-15/h2,6,11,16H,3-5,7-10,12-14H2,1H3
InChIKeyJQRXEWXSEQHVOG-UHFFFAOYSA-N
XLogP0.64
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane (CID 118784192) is 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane is CN1CCCN(CCn2cccn2)CC12CCNCC2.
What is the InChIKey of 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is JQRXEWXSEQHVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-18-9-3-10-19(12-13-20-11-2-6-17-20)14-15(18)4-7-16-8-5-15/h2,6,11,16H,3-5,7-10,12-14H2,1H3.
What are the key properties of 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane?
7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 277.42 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-11-(2-pyrazol-1-ylethyl)-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 118784192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).