1-(2H-triazol-4-yl)piperazine;hydrochloride

C6H12ClN5 — CID 174759148

IUPAC1-(2H-triazol-4-yl)piperazine;hydrochloride
SMILESCl.c1n[nH]nc1N1CCNCC1
InChIInChI=1S/C6H11N5.ClH/c1-3-11(4-2-7-1)6-5-8-10-9-6;/h5,7H,1-4H2,(H,8,9,10);1H
InChIKeyYJWQMVRXAUNJPU-UHFFFAOYSA-N
MW189.65 g/mol
LogP-0.36
Rot. Bonds1

About 1-(2H-triazol-4-yl)piperazine;hydrochloride

1-(2H-triazol-4-yl)piperazine;hydrochloride (PubChem CID 174759148) has the molecular formula C6H12ClN5 and a molecular weight of 189.65 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)piperazine;hydrochloride
PubChem CID174759148
Molecular FormulaC6H12ClN5
Molecular Weight189.65 g/mol
Exact Mass189.08
IUPAC Name1-(2H-triazol-4-yl)piperazine;hydrochloride
SMILESCl.c1n[nH]nc1N1CCNCC1
InChIInChI=1S/C6H11N5.ClH/c1-3-11(4-2-7-1)6-5-8-10-9-6;/h5,7H,1-4H2,(H,8,9,10);1H
InChIKeyYJWQMVRXAUNJPU-UHFFFAOYSA-N
XLogP-0.36
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2H-triazol-4-ylsulfonyl)piperazine
CID 175278597
(6-piperazin-1-yl-3-pyridinyl)methanol
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3-piperazin-1-yl-1H-pyrazol-5-amine
CID 123624176
4-(3,4-dihydropyrazol-2-yl)-2H-triazole
CID 174361598
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
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5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
6-piperazin-1-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 112710471
6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674675
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
1-(5-propyl-1H-pyrazol-3-yl)piperazine
CID 83698652
6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
CID 23321160

Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2H-triazol-4-yl)piperazine;hydrochloride (CID 174759148) is 1-(2H-triazol-4-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2H-triazol-4-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2H-triazol-4-yl)piperazine;hydrochloride is Cl.c1n[nH]nc1N1CCNCC1.
What is the InChIKey of 1-(2H-triazol-4-yl)piperazine;hydrochloride?
The InChIKey is YJWQMVRXAUNJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5.ClH/c1-3-11(4-2-7-1)6-5-8-10-9-6;/h5,7H,1-4H2,(H,8,9,10);1H.
What are the key properties of 1-(2H-triazol-4-yl)piperazine;hydrochloride?
1-(2H-triazol-4-yl)piperazine;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)piperazine;hydrochloride is sourced from PubChem (CID 174759148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).