N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide

C13H21N5O — CID 43595131

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H21N5O/c19-12(3-7-18-10-14-9-16-18)17-11-2-6-15-13(8-11)4-1-5-13/h9-11,15H,1-8H2,(H,17,19)
InChIKeyXEYQBZNXTNJFSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.46
Rot. Bonds4

About N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43595131) 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-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43595131
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H21N5O/c19-12(3-7-18-10-14-9-16-18)17-11-2-6-15-13(8-11)4-1-5-13/h9-11,15H,1-8H2,(H,17,19)
InChIKeyXEYQBZNXTNJFSV-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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Related Compounds

N-(cyclopentylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53520691
N-(1-propyl-1H-1,2,4-triazol-3-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 46992670
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71933440
N-(1-acetylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47149858
N-[(1-isobutyrylpiperidin-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50984321
3-(1,2,4-triazol-1-yl)-N-tridecan-6-ylpropanamide
CID 138583537
1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
CID 142661177
N-(4-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24665417
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25297172
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25297174
N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 26412982
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 26412986

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 43595131) is N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC1CCNC2(CCC2)C1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XEYQBZNXTNJFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-12(3-7-18-10-14-9-16-18)17-11-2-6-15-13(8-11)4-1-5-13/h9-11,15H,1-8H2,(H,17,19).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-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-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).