5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine

C11H18N4O — CID 79911425

IUPAC5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H18N4O/c12-9(10-13-7-14-15-10)8-2-5-16-11(6-8)3-1-4-11/h7-9H,1-6,12H2,(H,13,14,15)
InChIKeyLRSDKANQTCVXHS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds2

About 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine

5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 79911425) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID79911425
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)C1CCOC2(CCC2)C1
InChIInChI=1S/C11H18N4O/c12-9(10-13-7-14-15-10)8-2-5-16-11(6-8)3-1-4-11/h7-9H,1-6,12H2,(H,13,14,15)
InChIKeyLRSDKANQTCVXHS-UHFFFAOYSA-N
XLogP1.15
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine (CID 79911425) is 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine is NC(c1ncn[nH]1)C1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is LRSDKANQTCVXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9(10-13-7-14-15-10)8-2-5-16-11(6-8)3-1-4-11/h7-9H,1-6,12H2,(H,13,14,15).
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine?
5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 79911425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).