6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine

C12H16N4O — CID 79828244

IUPAC6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
SMILESCc1ccc(C(C)Nc2ccc(N)c(N)n2)o1
InChIInChI=1S/C12H16N4O/c1-7-3-5-10(17-7)8(2)15-11-6-4-9(13)12(14)16-11/h3-6,8H,13H2,1-2H3,(H3,14,15,16)
InChIKeyMKQZODXFWRRULW-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.32
Rot. Bonds3

About 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine

6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine (PubChem CID 79828244) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
PubChem CID79828244
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
SMILESCc1ccc(C(C)Nc2ccc(N)c(N)n2)o1
InChIInChI=1S/C12H16N4O/c1-7-3-5-10(17-7)8(2)15-11-6-4-9(13)12(14)16-11/h3-6,8H,13H2,1-2H3,(H3,14,15,16)
InChIKeyMKQZODXFWRRULW-UHFFFAOYSA-N
XLogP2.32
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine (CID 79828244) is 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine is Cc1ccc(C(C)Nc2ccc(N)c(N)n2)o1.
What is the InChIKey of 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is MKQZODXFWRRULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-3-5-10(17-7)8(2)15-11-6-4-9(13)12(14)16-11/h3-6,8H,13H2,1-2H3,(H3,14,15,16).
What are the key properties of 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine?
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 232.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79828244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).