N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride

C15H23ClN4 — CID 133108212

IUPACN-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1nn(C(C)C)nc1-c1ccccc1.Cl
InChIInChI=1S/C15H22N4.ClH/c1-4-10-16-11-14-15(13-8-6-5-7-9-13)18-19(17-14)12(2)3;/h5-9,12,16H,4,10-11H2,1-3H3;1H
InChIKeyWSKSOKPMGMLPSU-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.45
Rot. Bonds6

About N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride

N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 133108212) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
PubChem CID133108212
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC NameN-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1nn(C(C)C)nc1-c1ccccc1.Cl
InChIInChI=1S/C15H22N4.ClH/c1-4-10-16-11-14-15(13-8-6-5-7-9-13)18-19(17-14)12(2)3;/h5-9,12,16H,4,10-11H2,1-3H3;1H
InChIKeyWSKSOKPMGMLPSU-UHFFFAOYSA-N
XLogP3.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine
CID 124810142
(2S)-4-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]butan-2-amine
CID 124806079
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
CID 94073987
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]hexan-1-amine
CID 119027529
2-[3-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propylamino]ethanol
CID 125114243
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
N',N'-diethyl-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 125114554
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124823879
(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 51684343
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]butan-1-amine
CID 124825154

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride (CID 133108212) is N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride is CCCNCc1nn(C(C)C)nc1-c1ccccc1.Cl.
What is the InChIKey of N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is WSKSOKPMGMLPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.ClH/c1-4-10-16-11-14-15(13-8-6-5-7-9-13)18-19(17-14)12(2)3;/h5-9,12,16H,4,10-11H2,1-3H3;1H.
What are the key properties of N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride?
N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 133108212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).