N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride

C11H15ClN4 — CID 71758233

IUPACN-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C11H14N4.ClH/c1-2-12-8-10-9-13-15(14-10)11-6-4-3-5-7-11;/h3-7,9,12H,2,8H2,1H3;1H
InChIKeyOOAPNLRIFQKEIQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.80
Rot. Bonds4

About N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride

N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride (PubChem CID 71758233) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
PubChem CID71758233
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C11H14N4.ClH/c1-2-12-8-10-9-13-15(14-10)11-6-4-3-5-7-11;/h3-7,9,12H,2,8H2,1H3;1H
InChIKeyOOAPNLRIFQKEIQ-UHFFFAOYSA-N
XLogP1.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol
CID 103845600
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol
CID 28774706
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 62405326
methyl 4-[(2-phenyltriazol-4-yl)methylamino]butanoate
CID 60782497
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride (CID 71758233) is N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride is CCNCc1cnn(-c2ccccc2)n1.Cl.
What is the InChIKey of N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride?
The InChIKey is OOAPNLRIFQKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-2-12-8-10-9-13-15(14-10)11-6-4-3-5-7-11;/h3-7,9,12H,2,8H2,1H3;1H.
What are the key properties of N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride?
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 71758233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).