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

C12H19N5O — CID 155123142

IUPACN-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCn1cnc(NC(=O)N2CC3CCCC3C2)n1
InChIInChI=1S/C12H19N5O/c1-2-17-8-13-11(15-17)14-12(18)16-6-9-4-3-5-10(9)7-16/h8-10H,2-7H2,1H3,(H,14,15,18)
InChIKeyYZVNBJNKFWVVDW-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.56
Rot. Bonds2

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

N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 155123142) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID155123142
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCn1cnc(NC(=O)N2CC3CCCC3C2)n1
InChIInChI=1S/C12H19N5O/c1-2-17-8-13-11(15-17)14-12(18)16-6-9-4-3-5-10(9)7-16/h8-10H,2-7H2,1H3,(H,14,15,18)
InChIKeyYZVNBJNKFWVVDW-UHFFFAOYSA-N
XLogP1.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea
CID 46993199
N-(1-tert-butyl-1,2,4-triazol-3-yl)-6-cyclobutyl-1,4-oxazepane-4-carboxamide
CID 128621030
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone
CID 113335471
4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
CID 46990586
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 46994061
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
N-[3-(methylamino)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 166943291
7-chloro-N-(1-ethyl-1,2,4-triazol-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46997360
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
N-(6-chloro-5-methyl-3-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 146089895
(2S)-N-(1-ethyl-1,2,4-triazol-3-yl)-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide
CID 94188117
N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 75454069

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 155123142) is N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CCn1cnc(NC(=O)N2CC3CCCC3C2)n1.
What is the InChIKey of N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is YZVNBJNKFWVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-17-8-13-11(15-17)14-12(18)16-6-9-4-3-5-10(9)7-16/h8-10H,2-7H2,1H3,(H,14,15,18).
What are the key properties of N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-1,2,4-triazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 155123142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).