4-piperazin-1-yl-2H-benzotriazole;dihydrochloride

C10H15Cl2N5 — CID 6410629

IUPAC4-piperazin-1-yl-2H-benzotriazole;dihydrochloride
SMILESCl.Cl.c1cc(N2CCNCC2)c2n[nH]nc2c1
InChIInChI=1S/C10H13N5.2ClH/c1-2-8-10(13-14-12-8)9(3-1)15-6-4-11-5-7-15;;/h1-3,11H,4-7H2,(H,12,13,14);2*1H
InChIKeyBBSIBSJAOVEMST-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.21
Rot. Bonds1

About 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride

4-piperazin-1-yl-2H-benzotriazole;dihydrochloride (PubChem CID 6410629) has the molecular formula C10H15Cl2N5 and a molecular weight of 276.17 g/mol. Its IUPAC name is 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-2H-benzotriazole;dihydrochloride
PubChem CID6410629
Molecular FormulaC10H15Cl2N5
Molecular Weight276.17 g/mol
Exact Mass275.07
IUPAC Name4-piperazin-1-yl-2H-benzotriazole;dihydrochloride
SMILESCl.Cl.c1cc(N2CCNCC2)c2n[nH]nc2c1
InChIInChI=1S/C10H13N5.2ClH/c1-2-8-10(13-14-12-8)9(3-1)15-6-4-11-5-7-15;;/h1-3,11H,4-7H2,(H,12,13,14);2*1H
InChIKeyBBSIBSJAOVEMST-UHFFFAOYSA-N
XLogP1.21
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221
1-(piperidin-4-yl)-1H-1,2,3-benzotriazole
CID 2735464
1-methyl-1H-1,2,3-benzotriazol-5-amine
CID 226197
1-methyl-1H-1,2,3-benzotriazol-6-amine
CID 590468
1H-Benzotriazole-1-ethanamine
CID 12605338
1-[2-(4-Methylpiperazin-1-yl)ethyl]benzotriazole
CID 10467064
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole
CID 10822527
2-(1H-Benzo[D][1,2,3]triazol-1-YL)ethanamine hydrochloride
CID 12605339
N-propyl-2,1,3-benzothiadiazol-5-amine
CID 145978617
Triazolophenylpiperazine
CID 6410630
1-(1-Propan-2-ylpiperidin-4-yl)benzotriazole
CID 2823242

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride?
The IUPAC name of 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride (CID 6410629) is 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride?
The canonical SMILES for 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride is Cl.Cl.c1cc(N2CCNCC2)c2n[nH]nc2c1.
What is the InChIKey of 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride?
The InChIKey is BBSIBSJAOVEMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.2ClH/c1-2-8-10(13-14-12-8)9(3-1)15-6-4-11-5-7-15;;/h1-3,11H,4-7H2,(H,12,13,14);2*1H.
What are the key properties of 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride?
4-piperazin-1-yl-2H-benzotriazole;dihydrochloride has a molecular weight of 276.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2H-benzotriazole;dihydrochloride is sourced from PubChem (CID 6410629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).