1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride

C13H18ClN5 — CID 119904272

IUPAC1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
SMILESCl.c1ccc(-n2ncc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C13H17N5.ClH/c1-2-4-13(5-3-1)18-15-10-12(16-18)11-17-8-6-14-7-9-17;/h1-5,10,14H,6-9,11H2;1H
InChIKeyNKUVVKZHYBUJSK-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.09
Rot. Bonds3

About 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride

1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 119904272) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID119904272
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
SMILESCl.c1ccc(-n2ncc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C13H17N5.ClH/c1-2-4-13(5-3-1)18-15-10-12(16-18)11-17-8-6-14-7-9-17;/h1-5,10,14H,6-9,11H2;1H
InChIKeyNKUVVKZHYBUJSK-UHFFFAOYSA-N
XLogP1.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
CID 29009204
[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917977
1-[(2-phenyltriazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 51116318
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
7,7-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]-1,4-diazepan-5-one
CID 126840873
4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
CID 156544456
4-[[3-(3-methylphenyl)pyrrolidin-1-yl]methyl]-2-phenyltriazole
CID 167809385
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
1-[(2-phenylpyrazol-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834226
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride (CID 119904272) is 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride is Cl.c1ccc(-n2ncc(CN3CCNCC3)n2)cc1.
What is the InChIKey of 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is NKUVVKZHYBUJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.ClH/c1-2-4-13(5-3-1)18-15-10-12(16-18)11-17-8-6-14-7-9-17;/h1-5,10,14H,6-9,11H2;1H.
What are the key properties of 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride?
1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 119904272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).