6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine

C11H14N4S — CID 79825619

IUPAC6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
SMILESCc1ccc(CNc2ccc(N)c(N)n2)s1
InChIInChI=1S/C11H14N4S/c1-7-2-3-8(16-7)6-14-10-5-4-9(12)11(13)15-10/h2-5H,6,12H2,1H3,(H3,13,14,15)
InChIKeyWMZMBLZJHSXZRA-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.23
Rot. Bonds3

About 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine

6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine (PubChem CID 79825619) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
PubChem CID79825619
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
SMILESCc1ccc(CNc2ccc(N)c(N)n2)s1
InChIInChI=1S/C11H14N4S/c1-7-2-3-8(16-7)6-14-10-5-4-9(12)11(13)15-10/h2-5H,6,12H2,1H3,(H3,13,14,15)
InChIKeyWMZMBLZJHSXZRA-UHFFFAOYSA-N
XLogP2.23
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine (CID 79825619) is 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine is Cc1ccc(CNc2ccc(N)c(N)n2)s1.
What is the InChIKey of 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine?
The InChIKey is WMZMBLZJHSXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7-2-3-8(16-7)6-14-10-5-4-9(12)11(13)15-10/h2-5H,6,12H2,1H3,(H3,13,14,15).
What are the key properties of 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine?
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine has a molecular weight of 234.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79825619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).