(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone

C12H19N5O2 — CID 171415749

IUPAC(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone
SMILESCC(C)N1CCOC2(CN(C(=O)c3cn[nH]n3)C2)C1
InChIInChI=1S/C12H19N5O2/c1-9(2)16-3-4-19-12(6-16)7-17(8-12)11(18)10-5-13-15-14-10/h5,9H,3-4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyJXOJMCZQMYPSLY-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.26
Rot. Bonds2

About (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone

(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone (PubChem CID 171415749) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone
PubChem CID171415749
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone
SMILESCC(C)N1CCOC2(CN(C(=O)c3cn[nH]n3)C2)C1
InChIInChI=1S/C12H19N5O2/c1-9(2)16-3-4-19-12(6-16)7-17(8-12)11(18)10-5-13-15-14-10/h5,9H,3-4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyJXOJMCZQMYPSLY-UHFFFAOYSA-N
XLogP-0.26
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone (CID 171415749) is (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone is CC(C)N1CCOC2(CN(C(=O)c3cn[nH]n3)C2)C1.
What is the InChIKey of (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is JXOJMCZQMYPSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(2)16-3-4-19-12(6-16)7-17(8-12)11(18)10-5-13-15-14-10/h5,9H,3-4,6-8H2,1-2H3,(H,13,14,15).
What are the key properties of (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone?
(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 171415749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).