(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone

C14H23N5O — CID 170405916

IUPAC(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CCC2(CCCCN2C(=O)n2cncn2)C1
InChIInChI=1S/C14H23N5O/c1-12(2)17-8-6-14(9-17)5-3-4-7-18(14)13(20)19-11-15-10-16-19/h10-12H,3-9H2,1-2H3
InChIKeyPIANXOGZQNMNCF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.59
Rot. Bonds1

About (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone

(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 170405916) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID170405916
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CCC2(CCCCN2C(=O)n2cncn2)C1
InChIInChI=1S/C14H23N5O/c1-12(2)17-8-6-14(9-17)5-3-4-7-18(14)13(20)19-11-15-10-16-19/h10-12H,3-9H2,1-2H3
InChIKeyPIANXOGZQNMNCF-UHFFFAOYSA-N
XLogP1.59
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone with MolForge

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Related Compounds

(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405918
(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
(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
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
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-methyl-3-nitro-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381390
cyclopropyl(1,2,4-triazol-1-yl)methanone
CID 14362058

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone (CID 170405916) is (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone is CC(C)N1CCC2(CCCCN2C(=O)n2cncn2)C1.
What is the InChIKey of (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is PIANXOGZQNMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-12(2)17-8-6-14(9-17)5-3-4-7-18(14)13(20)19-11-15-10-16-19/h10-12H,3-9H2,1-2H3.
What are the key properties of (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone?
(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 170405916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).