2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride

C8H16Cl3N3 — CID 129319878

IUPAC2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride
SMILESCc1cc(N(C)C)ncc1N.Cl.Cl.Cl
InChIInChI=1S/C8H13N3.3ClH/c1-6-4-8(11(2)3)10-5-7(6)9;;;/h4-5H,9H2,1-3H3;3*1H
InChIKeyZHWSSGHTIHNTSZ-UHFFFAOYSA-N
MW260.60 g/mol
LogP2.30
Rot. Bonds1

About 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride

2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride (PubChem CID 129319878) has the molecular formula C8H16Cl3N3 and a molecular weight of 260.60 g/mol. Its IUPAC name is 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride.

Molecular Properties

Compound Name2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride
PubChem CID129319878
Molecular FormulaC8H16Cl3N3
Molecular Weight260.60 g/mol
Exact Mass259.04
IUPAC Name2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride
SMILESCc1cc(N(C)C)ncc1N.Cl.Cl.Cl
InChIInChI=1S/C8H13N3.3ClH/c1-6-4-8(11(2)3)10-5-7(6)9;;;/h4-5H,9H2,1-3H3;3*1H
InChIKeyZHWSSGHTIHNTSZ-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.60
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride?
The IUPAC name of 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride (CID 129319878) is 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride.
What is the SMILES notation for 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride?
The canonical SMILES for 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride is Cc1cc(N(C)C)ncc1N.Cl.Cl.Cl.
What is the InChIKey of 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride?
The InChIKey is ZHWSSGHTIHNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.3ClH/c1-6-4-8(11(2)3)10-5-7(6)9;;;/h4-5H,9H2,1-3H3;3*1H.
What are the key properties of 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride?
2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride has a molecular weight of 260.60 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride is sourced from PubChem (CID 129319878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).