3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C16H23Cl2N5O — CID 119856940

IUPAC3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCn1cnnc1-c1cccc(NC(=O)C2CCC(N)C2)c1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-2-21-10-18-20-15(21)11-4-3-5-14(9-11)19-16(22)12-6-7-13(17)8-12;;/h3-5,9-10,12-13H,2,6-8,17H2,1H3,(H,19,22);2*1H
InChIKeyLNAPKWNVSSSQQF-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119856940) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119856940
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCn1cnnc1-c1cccc(NC(=O)C2CCC(N)C2)c1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-2-21-10-18-20-15(21)11-4-3-5-14(9-11)19-16(22)12-6-7-13(17)8-12;;/h3-5,9-10,12-13H,2,6-8,17H2,1H3,(H,19,22);2*1H
InChIKeyLNAPKWNVSSSQQF-UHFFFAOYSA-N
XLogP2.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119856952
cis-(1S,3R)-3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065292
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119856957
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
cis-(1R,2S)-N-[3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 32580350
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47026541
9-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985667
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119856940) is 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is CCn1cnnc1-c1cccc(NC(=O)C2CCC(N)C2)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is LNAPKWNVSSSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-2-21-10-18-20-15(21)11-4-3-5-14(9-11)19-16(22)12-6-7-13(17)8-12;;/h3-5,9-10,12-13H,2,6-8,17H2,1H3,(H,19,22);2*1H.
What are the key properties of 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119856940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).