7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C14H21N5O2 — CID 56743510

IUPAC7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCn3cncn3)C2)C1=O
InChIInChI=1S/C14H21N5O2/c1-17-6-2-4-14(13(17)21)5-8-18(9-14)12(20)3-7-19-11-15-10-16-19/h10-11H,2-9H2,1H3
InChIKeyDGMCCWDURDKSLP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.14
Rot. Bonds3

About 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56743510) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56743510
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCn3cncn3)C2)C1=O
InChIInChI=1S/C14H21N5O2/c1-17-6-2-4-14(13(17)21)5-8-18(9-14)12(20)3-7-19-11-15-10-16-19/h10-11H,2-9H2,1H3
InChIKeyDGMCCWDURDKSLP-UHFFFAOYSA-N
XLogP0.14
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 53619246
7-propyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852632
7-(cyclopropylmethyl)-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72866575
7-cyclopentyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72910316
2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72913400
7-isopropyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918675
7-(2-methoxyethyl)-2-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72885864
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448
2-isobutyl-8-(1H-tetrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72918164
7-methyl-2-[4-(1H-tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56739421
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 56740750
4-(1-pyrrolidinylcarbonyl)-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]piperidine
CID 70741162

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 56743510) is 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)CCn3cncn3)C2)C1=O.
What is the InChIKey of 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DGMCCWDURDKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17-6-2-4-14(13(17)21)5-8-18(9-14)12(20)3-7-19-11-15-10-16-19/h10-11H,2-9H2,1H3.
What are the key properties of 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 291.35 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56743510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).