3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride

C13H23Cl2N5 — CID 90674685

IUPAC3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCN(c2cncc(Cl)n2)CC1.Cl
InChIInChI=1S/C13H22ClN5.ClH/c1-17(2)4-3-5-18-6-8-19(9-7-18)13-11-15-10-12(14)16-13;/h10-11H,3-9H2,1-2H3;1H
InChIKeyQYQMDAJOLWTFGV-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.63
Rot. Bonds5

About 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride

3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 90674685) has the molecular formula C13H23Cl2N5 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID90674685
Molecular FormulaC13H23Cl2N5
Molecular Weight320.27 g/mol
Exact Mass319.13
IUPAC Name3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCN(c2cncc(Cl)n2)CC1.Cl
InChIInChI=1S/C13H22ClN5.ClH/c1-17(2)4-3-5-18-6-8-19(9-7-18)13-11-15-10-12(14)16-13;/h10-11H,3-9H2,1-2H3;1H
InChIKeyQYQMDAJOLWTFGV-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-Chloro-6-(1-piperazinyl)pyrazine
CID 107992
MK-212 hydrochloride
CID 198421
2-Chloro-6-(pyrrolidin-1-yl)pyrazine
CID 26967054
6-chloro-N,N-dimethylpyrazin-2-amine
CID 23273443
2,2'-(Piperazine-1,4-diyl)bis(6-chloropyrazine)
CID 12898202
2-Chloro-5-(piperazin-1-yl)pyrazine hydrochloride
CID 20361688
2-Chloro-6-(4-ethylpiperazin-1-yl)pyrazine
CID 53512534
2-Chloro-3-(piperazin-1-yl)pyrazine hydrochloride
CID 85596812
2-Chloro-6-(4-methylpiperidin-1-yl)pyrazine
CID 25539137
2-Chloro-3-(piperazin-1-yl)pyrazine
CID 14086438
N-butyl-6-chloro-N-methylpyrazin-2-amine
CID 53410844
2-Chloro-5-(1-piperazinyl)pyrazine
CID 3822005

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride (CID 90674685) is 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCN1CCN(c2cncc(Cl)n2)CC1.Cl.
What is the InChIKey of 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is QYQMDAJOLWTFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5.ClH/c1-17(2)4-3-5-18-6-8-19(9-7-18)13-11-15-10-12(14)16-13;/h10-11H,3-9H2,1-2H3;1H.
What are the key properties of 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride?
3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 320.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 90674685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).