1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

C8H16ClN3O — CID 74889888

IUPAC1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCN1CNC(=O)C12CCNCC2.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-11-6-10-7(12)8(11)2-4-9-5-3-8;/h9H,2-6H2,1H3,(H,10,12);1H
InChIKeyUWKLQVDPWITJMW-UHFFFAOYSA-N
MW205.69 g/mol
LogP-0.45
Rot. Bonds

About 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 74889888) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID74889888
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCN1CNC(=O)C12CCNCC2.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-11-6-10-7(12)8(11)2-4-9-5-3-8;/h9H,2-6H2,1H3,(H,10,12);1H
InChIKeyUWKLQVDPWITJMW-UHFFFAOYSA-N
XLogP-0.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
1,3,8-Triazaspiro[4.5]decane-2,4-dione
CID 120989
8-Methyl-3-(2-oxo-propyl)-1-propyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 44337466
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 153517448
3-Ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759421
8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30545070
8-Isobutyryl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109420
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 272002
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931314
1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-methyl-3-(2-propynyl)-
CID 10198365
3,8-Dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097484

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 74889888) is 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is CN1CNC(=O)C12CCNCC2.Cl.
What is the InChIKey of 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is UWKLQVDPWITJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c1-11-6-10-7(12)8(11)2-4-9-5-3-8;/h9H,2-6H2,1H3,(H,10,12);1H.
What are the key properties of 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 74889888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).