(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone

C13H21N5O — CID 170405918

IUPAC(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CCCC2(CCN2C(=O)n2cncn2)C1
InChIInChI=1S/C13H21N5O/c1-11(2)16-6-3-4-13(8-16)5-7-17(13)12(19)18-10-14-9-15-18/h9-11H,3-8H2,1-2H3
InChIKeySBGFZKFEJRDLGV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds1

About (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone

(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 170405918) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID170405918
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CCCC2(CCN2C(=O)n2cncn2)C1
InChIInChI=1S/C13H21N5O/c1-11(2)16-6-3-4-13(8-16)5-7-17(13)12(19)18-10-14-9-15-18/h9-11H,3-8H2,1-2H3
InChIKeySBGFZKFEJRDLGV-UHFFFAOYSA-N
XLogP1.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405916
(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 171423062
(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
CID 171423080
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405453
1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
CID 170571684
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
CID 171423088
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
5-(1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane
CID 15663642
(5-methyl-3-nitro-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381390
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717

Frequently Asked Questions

What is the IUPAC name of (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 170405918) is (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone is CC(C)N1CCCC2(CCN2C(=O)n2cncn2)C1.
What is the InChIKey of (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is SBGFZKFEJRDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-11(2)16-6-3-4-13(8-16)5-7-17(13)12(19)18-10-14-9-15-18/h9-11H,3-8H2,1-2H3.
What are the key properties of (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone?
(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 170405918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).