2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine

C8H14N4 — CID 174495716

IUPAC2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine
SMILESCNc1ccc(NC)c(NC)n1
InChIInChI=1S/C8H14N4/c1-9-6-4-5-7(10-2)12-8(6)11-3/h4-5,9H,1-3H3,(H2,10,11,12)
InChIKeyHJCDWMSXSMNLAM-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.21
Rot. Bonds3

About 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine

2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine (PubChem CID 174495716) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine
PubChem CID174495716
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine
SMILESCNc1ccc(NC)c(NC)n1
InChIInChI=1S/C8H14N4/c1-9-6-4-5-7(10-2)12-8(6)11-3/h4-5,9H,1-3H3,(H2,10,11,12)
InChIKeyHJCDWMSXSMNLAM-UHFFFAOYSA-N
XLogP1.21
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine?
The IUPAC name of 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine (CID 174495716) is 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine.
What is the SMILES notation for 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine?
The canonical SMILES for 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine is CNc1ccc(NC)c(NC)n1.
What is the InChIKey of 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine?
The InChIKey is HJCDWMSXSMNLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-9-6-4-5-7(10-2)12-8(6)11-3/h4-5,9H,1-3H3,(H2,10,11,12).
What are the key properties of 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine?
2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine has a molecular weight of 166.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,6-N-trimethylpyridine-2,3,6-triamine is sourced from PubChem (CID 174495716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).