N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide

C13H21N5O — CID 100839204

IUPACN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C13H21N5O/c19-13(5-8-18-10-14-9-15-18)16-11-4-7-17-6-2-1-3-12(11)17/h9-12H,1-8H2,(H,16,19)/t11-,12+/m1/s1
InChIKeyBHKDSUSDBPDRFN-NEPJUHHUSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds4

About N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 100839204) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID100839204
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C13H21N5O/c19-13(5-8-18-10-14-9-15-18)16-11-4-7-17-6-2-1-3-12(11)17/h9-12H,1-8H2,(H,16,19)/t11-,12+/m1/s1
InChIKeyBHKDSUSDBPDRFN-NEPJUHHUSA-N
XLogP0.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
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N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
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N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
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N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
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N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
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N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 100839204) is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N[C@@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BHKDSUSDBPDRFN-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(5-8-18-10-14-9-15-18)16-11-4-7-17-6-2-1-3-12(11)17/h9-12H,1-8H2,(H,16,19)/t11-,12+/m1/s1.
What are the key properties of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 100839204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).