N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride

C14H20ClN5O — CID 120831934

IUPACN-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cn(-c2cccc(C)c2)nn1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-10-5-4-6-12(7-10)19-9-13(17-18-19)14(20)16-8-11(2)15-3;/h4-7,9,11,15H,8H2,1-3H3,(H,16,20);1H
InChIKeyRXFZZKKVJRTDGU-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.34
Rot. Bonds5

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

N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 120831934) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID120831934
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cn(-c2cccc(C)c2)nn1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-10-5-4-6-12(7-10)19-9-13(17-18-19)14(20)16-8-11(2)15-3;/h4-7,9,11,15H,8H2,1-3H3,(H,16,20);1H
InChIKeyRXFZZKKVJRTDGU-UHFFFAOYSA-N
XLogP1.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

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CID 120826695
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N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
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1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
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1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
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1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide
CID 136524946
1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide
CID 75508833
1-(3-methylphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]triazole-4-carboxamide
CID 71880566
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride (CID 120831934) is N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cn(-c2cccc(C)c2)nn1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is RXFZZKKVJRTDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-10-5-4-6-12(7-10)19-9-13(17-18-19)14(20)16-8-11(2)15-3;/h4-7,9,11,15H,8H2,1-3H3,(H,16,20);1H.
What are the key properties of N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120831934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).