1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C19H23ClN6 — CID 120910449

IUPAC1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCc1cc(CN2CCNCC2c2ccncc2)ccc1-n1cncn1.Cl
InChIInChI=1S/C19H22N6.ClH/c1-15-10-16(2-3-18(15)25-14-22-13-23-25)12-24-9-8-21-11-19(24)17-4-6-20-7-5-17;/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3;1H
InChIKeyHZDBSFZJFVQDLX-UHFFFAOYSA-N
MW370.89 g/mol
LogP2.54
Rot. Bonds4

About 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910449) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910449
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCc1cc(CN2CCNCC2c2ccncc2)ccc1-n1cncn1.Cl
InChIInChI=1S/C19H22N6.ClH/c1-15-10-16(2-3-18(15)25-14-22-13-23-25)12-24-9-8-21-11-19(24)17-4-6-20-7-5-17;/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3;1H
InChIKeyHZDBSFZJFVQDLX-UHFFFAOYSA-N
XLogP2.54
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]piperazine;hydrochloride
CID 120767337
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252
2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907058

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910449) is 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride is Cc1cc(CN2CCNCC2c2ccncc2)ccc1-n1cncn1.Cl.
What is the InChIKey of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is HZDBSFZJFVQDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6.ClH/c1-15-10-16(2-3-18(15)25-14-22-13-23-25)12-24-9-8-21-11-19(24)17-4-6-20-7-5-17;/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3;1H.
What are the key properties of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 370.89 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).