N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide

C13H21N5O — CID 43595134

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H21N5O/c19-12(3-8-18-9-7-15-17-18)16-11-2-6-14-13(10-11)4-1-5-13/h7,9,11,14H,1-6,8,10H2,(H,16,19)
InChIKeyNVOXDFCGUWGCSZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.46
Rot. Bonds4

About N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide

N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide (PubChem CID 43595134) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide
PubChem CID43595134
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H21N5O/c19-12(3-8-18-9-7-15-17-18)16-11-2-6-14-13(10-11)4-1-5-13/h7,9,11,14H,1-6,8,10H2,(H,16,19)
InChIKeyNVOXDFCGUWGCSZ-UHFFFAOYSA-N
XLogP0.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide (CID 43595134) is N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NC1CCNC2(CCC2)C1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is NVOXDFCGUWGCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-12(3-8-18-9-7-15-17-18)16-11-2-6-14-13(10-11)4-1-5-13/h7,9,11,14H,1-6,8,10H2,(H,16,19).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide?
N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43595134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).