1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride

C14H17ClN6O2 — CID 119547328

IUPAC1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)Cn1cc(C(=O)Nc2ccc3c(c2)CCCN3)nn1
InChIInChI=1S/C14H16N6O2.ClH/c15-13(21)8-20-7-12(18-19-20)14(22)17-10-3-4-11-9(6-10)2-1-5-16-11;/h3-4,6-7,16H,1-2,5,8H2,(H2,15,21)(H,17,22);1H
InChIKeyNSPGKKCFUXHMLT-UHFFFAOYSA-N
MW336.78 g/mol
LogP0.80
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride

1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride (PubChem CID 119547328) has the molecular formula C14H17ClN6O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride
PubChem CID119547328
Molecular FormulaC14H17ClN6O2
Molecular Weight336.78 g/mol
Exact Mass336.11
IUPAC Name1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)Cn1cc(C(=O)Nc2ccc3c(c2)CCCN3)nn1
InChIInChI=1S/C14H16N6O2.ClH/c15-13(21)8-20-7-12(18-19-20)14(22)17-10-3-4-11-9(6-10)2-1-5-16-11;/h3-4,6-7,16H,1-2,5,8H2,(H2,15,21)(H,17,22);1H
InChIKeyNSPGKKCFUXHMLT-UHFFFAOYSA-N
XLogP0.80
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
CID 119547166
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 63282524
1-(2-amino-2-oxoethyl)-N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)phenyl]triazole-4-carboxamide
CID 126771645
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride (CID 119547328) is 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride is Cl.NC(=O)Cn1cc(C(=O)Nc2ccc3c(c2)CCCN3)nn1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride?
The InChIKey is NSPGKKCFUXHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2.ClH/c15-13(21)8-20-7-12(18-19-20)14(22)17-10-3-4-11-9(6-10)2-1-5-16-11;/h3-4,6-7,16H,1-2,5,8H2,(H2,15,21)(H,17,22);1H.
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride?
1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride has a molecular weight of 336.78 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119547328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).