6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine

C12H22N6 — CID 79826230

IUPAC6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
SMILESCN1CCN(CCNc2ccc(N)c(N)n2)CC1
InChIInChI=1S/C12H22N6/c1-17-6-8-18(9-7-17)5-4-15-11-3-2-10(13)12(14)16-11/h2-3H,4-9,13H2,1H3,(H3,14,15,16)
InChIKeyJRBSYHMTLUZBIY-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.09
Rot. Bonds4

About 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine

6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine (PubChem CID 79826230) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
PubChem CID79826230
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
SMILESCN1CCN(CCNc2ccc(N)c(N)n2)CC1
InChIInChI=1S/C12H22N6/c1-17-6-8-18(9-7-17)5-4-15-11-3-2-10(13)12(14)16-11/h2-3H,4-9,13H2,1H3,(H3,14,15,16)
InChIKeyJRBSYHMTLUZBIY-UHFFFAOYSA-N
XLogP-0.09
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
CID 54861120
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 43261157
5-N-[2-(4-methylpiperazin-1-yl)ethyl]isoquinoline-5,8-diamine
CID 60924256
6-N-[2-(diethylamino)ethyl]pyridine-2,3,6-triamine
CID 79822537
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 106324765

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine (CID 79826230) is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine is CN1CCN(CCNc2ccc(N)c(N)n2)CC1.
What is the InChIKey of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is JRBSYHMTLUZBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-17-6-8-18(9-7-17)5-4-15-11-3-2-10(13)12(14)16-11/h2-3H,4-9,13H2,1H3,(H3,14,15,16).
What are the key properties of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine?
6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 250.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79826230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).