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

C10H13N5 — CID 6410630

IUPAC4-piperazin-1-yl-2H-benzotriazole
SMILESc1cc(N2CCNCC2)c2n[nH]nc2c1
InChIInChI=1S/C10H13N5/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)
InChIKeyRZCRWQZFNQEANZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.37
Rot. Bonds1

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

4-piperazin-1-yl-2H-benzotriazole (PubChem CID 6410630) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-piperazin-1-yl-2H-benzotriazole.

Molecular Properties

Compound Name4-piperazin-1-yl-2H-benzotriazole
PubChem CID6410630
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-piperazin-1-yl-2H-benzotriazole
SMILESc1cc(N2CCNCC2)c2n[nH]nc2c1
InChIInChI=1S/C10H13N5/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)
InChIKeyRZCRWQZFNQEANZ-UHFFFAOYSA-N
XLogP0.37
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.37
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
7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine
CID 1095028
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221
1-phenyl-1H,4H,5H,6H,7H-(1,2,3)triazolo(4,5-c)pyridine
CID 1108279
1H-Benzotriazole, 4-(1-piperazinyl)-, dihydrochloride
CID 6410629
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
N-methyl-2,1,3-benzothiadiazol-4-amine
CID 3783279
1-[2-(4-Methylpiperazin-1-yl)ethyl]benzotriazole
CID 10467064
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole
CID 10822527

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2H-benzotriazole?
The IUPAC name of 4-piperazin-1-yl-2H-benzotriazole (CID 6410630) is 4-piperazin-1-yl-2H-benzotriazole.
What is the SMILES notation for 4-piperazin-1-yl-2H-benzotriazole?
The canonical SMILES for 4-piperazin-1-yl-2H-benzotriazole is c1cc(N2CCNCC2)c2n[nH]nc2c1.
What is the InChIKey of 4-piperazin-1-yl-2H-benzotriazole?
The InChIKey is RZCRWQZFNQEANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/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).
What are the key properties of 4-piperazin-1-yl-2H-benzotriazole?
4-piperazin-1-yl-2H-benzotriazole has a molecular weight of 203.25 g/mol, XLogP of 0.37, 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 is sourced from PubChem (CID 6410630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).