6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride

C14H15Cl4N5 — CID 175969487

IUPAC6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride
SMILESCl.Cl.Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCNC1
InChIInChI=1S/C14H13Cl2N5.2ClH/c15-8-3-9(17)12-11(7-4-19-20-5-7)10-6-18-1-2-21(10)14(12)13(8)16;;/h3-5,18H,1-2,6,17H2,(H,19,20);2*1H
InChIKeyYTRKNOFGWPTEMB-UHFFFAOYSA-N
MW395.12 g/mol
LogP3.87
Rot. Bonds1

About 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride

6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride (PubChem CID 175969487) has the molecular formula C14H15Cl4N5 and a molecular weight of 395.12 g/mol. Its IUPAC name is 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride.

Molecular Properties

Compound Name6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride
PubChem CID175969487
Molecular FormulaC14H15Cl4N5
Molecular Weight395.12 g/mol
Exact Mass393.01
IUPAC Name6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride
SMILESCl.Cl.Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCNC1
InChIInChI=1S/C14H13Cl2N5.2ClH/c15-8-3-9(17)12-11(7-4-19-20-5-7)10-6-18-1-2-21(10)14(12)13(8)16;;/h3-5,18H,1-2,6,17H2,(H,19,20);2*1H
InChIKeyYTRKNOFGWPTEMB-UHFFFAOYSA-N
XLogP3.87
TPSA71.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride?
The IUPAC name of 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride (CID 175969487) is 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride.
What is the SMILES notation for 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride?
The canonical SMILES for 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride is Cl.Cl.Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCNC1.
What is the InChIKey of 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride?
The InChIKey is YTRKNOFGWPTEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5.2ClH/c15-8-3-9(17)12-11(7-4-19-20-5-7)10-6-18-1-2-21(10)14(12)13(8)16;;/h3-5,18H,1-2,6,17H2,(H,19,20);2*1H.
What are the key properties of 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride?
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride has a molecular weight of 395.12 g/mol, XLogP of 3.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride is sourced from PubChem (CID 175969487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).