N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride

C14H19Cl2N5O — CID 119385059

IUPACN-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCCc1nc(C(=O)NCCN)nn1-c1ccccc1Cl.Cl
InChIInChI=1S/C14H18ClN5O.ClH/c1-2-5-12-18-13(14(21)17-9-8-16)19-20(12)11-7-4-3-6-10(11)15;/h3-4,6-7H,2,5,8-9,16H2,1H3,(H,17,21);1H
InChIKeyQGNQSZAZMOFNQY-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.98
Rot. Bonds6

About N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 119385059) has the molecular formula C14H19Cl2N5O and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID119385059
Molecular FormulaC14H19Cl2N5O
Molecular Weight344.25 g/mol
Exact Mass343.10
IUPAC NameN-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCCc1nc(C(=O)NCCN)nn1-c1ccccc1Cl.Cl
InChIInChI=1S/C14H18ClN5O.ClH/c1-2-5-12-18-13(14(21)17-9-8-16)19-20(12)11-7-4-3-6-10(11)15;/h3-4,6-7H,2,5,8-9,16H2,1H3,(H,17,21);1H
InChIKeyQGNQSZAZMOFNQY-UHFFFAOYSA-N
XLogP1.98
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
CID 111428960
1-(2-fluorophenyl)-N-(3-hydroxybutyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 111462985
1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 119463941
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119385538
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
CID 119376351
1-(2-chlorophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]-1,2,4-triazole-3-carboxamide
CID 119509497
2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 122067149
1-(2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652629
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693185
(3S,4S)-1-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112436
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 46994346

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride (CID 119385059) is N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride is CCCc1nc(C(=O)NCCN)nn1-c1ccccc1Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is QGNQSZAZMOFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O.ClH/c1-2-5-12-18-13(14(21)17-9-8-16)19-20(12)11-7-4-3-6-10(11)15;/h3-4,6-7H,2,5,8-9,16H2,1H3,(H,17,21);1H.
What are the key properties of N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 344.25 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119385059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).