3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole

C15H18N4 — CID 18706806

IUPAC3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc2c(c1)CCc1c(N3CCNCC3)n[nH]c1-2
InChIInChI=1S/C15H18N4/c1-2-4-12-11(3-1)5-6-13-14(12)17-18-15(13)19-9-7-16-8-10-19/h1-4,16H,5-10H2,(H,17,18)
InChIKeyIJBUDEGBBJCAHL-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.58
Rot. Bonds1

About 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole

3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 18706806) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
PubChem CID18706806
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc2c(c1)CCc1c(N3CCNCC3)n[nH]c1-2
InChIInChI=1S/C15H18N4/c1-2-4-12-11(3-1)5-6-13-14(12)17-18-15(13)19-9-7-16-8-10-19/h1-4,16H,5-10H2,(H,17,18)
InChIKeyIJBUDEGBBJCAHL-UHFFFAOYSA-N
XLogP1.58
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole (CID 18706806) is 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole is c1ccc2c(c1)CCc1c(N3CCNCC3)n[nH]c1-2.
What is the InChIKey of 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is IJBUDEGBBJCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-4-12-11(3-1)5-6-13-14(12)17-18-15(13)19-9-7-16-8-10-19/h1-4,16H,5-10H2,(H,17,18).
What are the key properties of 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 254.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 18706806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).