N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride

C14H20ClN5O — CID 119506900

IUPACN-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cn(-c2cccc(C)c2)nn1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-3-15-7-8-16-14(20)13-10-19(18-17-13)12-6-4-5-11(2)9-12;/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,16,20);1H
InChIKeyQPGLVHBPWQIGDE-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119506900) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID119506900
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cn(-c2cccc(C)c2)nn1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-3-15-7-8-16-14(20)13-10-19(18-17-13)12-6-4-5-11(2)9-12;/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,16,20);1H
InChIKeyQPGLVHBPWQIGDE-UHFFFAOYSA-N
XLogP1.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 120831934
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111429573
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
2-[[1-(3-methylphenyl)triazole-4-carbonyl]-propylamino]acetic acid
CID 119204799
N-[2-(ethylamino)ethyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119506466
cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride (CID 119506900) is N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride is CCNCCNC(=O)c1cn(-c2cccc(C)c2)nn1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is QPGLVHBPWQIGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-3-15-7-8-16-14(20)13-10-19(18-17-13)12-6-4-5-11(2)9-12;/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,16,20);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119506900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).