11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one

C15H25N5O — CID 134073045

IUPAC11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one
SMILESCN1CCN(Cc2cnn(C)c2)CC2(CCCC(=O)N2)C1
InChIInChI=1S/C15H25N5O/c1-18-6-7-20(10-13-8-16-19(2)9-13)12-15(11-18)5-3-4-14(21)17-15/h8-9H,3-7,10-12H2,1-2H3,(H,17,21)
InChIKeyBASDYZAOQZCPTN-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.21
Rot. Bonds2

About 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one

11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one (PubChem CID 134073045) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one.

Molecular Properties

Compound Name11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one
PubChem CID134073045
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one
SMILESCN1CCN(Cc2cnn(C)c2)CC2(CCCC(=O)N2)C1
InChIInChI=1S/C15H25N5O/c1-18-6-7-20(10-13-8-16-19(2)9-13)12-15(11-18)5-3-4-14(21)17-15/h8-9H,3-7,10-12H2,1-2H3,(H,17,21)
InChIKeyBASDYZAOQZCPTN-UHFFFAOYSA-N
XLogP0.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one?
The IUPAC name of 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one (CID 134073045) is 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one.
What is the SMILES notation for 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one?
The canonical SMILES for 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one is CN1CCN(Cc2cnn(C)c2)CC2(CCCC(=O)N2)C1.
What is the InChIKey of 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one?
The InChIKey is BASDYZAOQZCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-18-6-7-20(10-13-8-16-19(2)9-13)12-15(11-18)5-3-4-14(21)17-15/h8-9H,3-7,10-12H2,1-2H3,(H,17,21).
What are the key properties of 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one?
11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one has a molecular weight of 291.40 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8,11-triazaspiro[5.6]dodecan-2-one is sourced from PubChem (CID 134073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).