N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C12H19N5O — CID 114168038

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(NC(=O)C1NCC2CCCC21)c1ncn[nH]1
InChIInChI=1S/C12H19N5O/c1-7(11-14-6-15-17-11)16-12(18)10-9-4-2-3-8(9)5-13-10/h6-10,13H,2-5H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyZIMNRXJCTBZLAS-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.37
Rot. Bonds3

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 114168038) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID114168038
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(NC(=O)C1NCC2CCCC21)c1ncn[nH]1
InChIInChI=1S/C12H19N5O/c1-7(11-14-6-15-17-11)16-12(18)10-9-4-2-3-8(9)5-13-10/h6-10,13H,2-5H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyZIMNRXJCTBZLAS-UHFFFAOYSA-N
XLogP0.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-2-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890640
N-[(1R)-1-(2-chlorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893442
N-[1-(4-methoxyphenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893283
N-(1,3-dihydroxypropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893232
N-(2-methylpentan-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892730
N-(1-amino-1-oxopropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890661
N-(2-methylpropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890096
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-methylpentanoic acid
CID 102892098
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 103722966
N-(4-ethylsulfanylbutan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893859
N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893672

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 114168038) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CC(NC(=O)C1NCC2CCCC21)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is ZIMNRXJCTBZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7(11-14-6-15-17-11)16-12(18)10-9-4-2-3-8(9)5-13-10/h6-10,13H,2-5H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 114168038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).