6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine

C10H12N4S — CID 79827377

IUPAC6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCc2ccsc2)nc1N
InChIInChI=1S/C10H12N4S/c11-8-1-2-9(14-10(8)12)13-5-7-3-4-15-6-7/h1-4,6H,5,11H2,(H3,12,13,14)
InChIKeyQGXCSAYSKYTGJW-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.92
Rot. Bonds3

About 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine

6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine (PubChem CID 79827377) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
PubChem CID79827377
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCc2ccsc2)nc1N
InChIInChI=1S/C10H12N4S/c11-8-1-2-9(14-10(8)12)13-5-7-3-4-15-6-7/h1-4,6H,5,11H2,(H3,12,13,14)
InChIKeyQGXCSAYSKYTGJW-UHFFFAOYSA-N
XLogP1.92
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80827775
6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide
CID 64594893
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62315277
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
2-ethyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80937932
4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361186

Frequently Asked Questions

What is the IUPAC name of 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine (CID 79827377) is 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine is Nc1ccc(NCc2ccsc2)nc1N.
What is the InChIKey of 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine?
The InChIKey is QGXCSAYSKYTGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-8-1-2-9(14-10(8)12)13-5-7-3-4-15-6-7/h1-4,6H,5,11H2,(H3,12,13,14).
What are the key properties of 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine?
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine has a molecular weight of 220.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79827377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).