5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine

C11H16N6 — CID 83266029

IUPAC5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
SMILESCc1cnc(NCCc2nncn2C)cc1N
InChIInChI=1S/C11H16N6/c1-8-6-14-10(5-9(8)12)13-4-3-11-16-15-7-17(11)2/h5-7H,3-4H2,1-2H3,(H3,12,13,14)
InChIKeyCTDBLRPUPPJVRN-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.76
Rot. Bonds4

About 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine

5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine (PubChem CID 83266029) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
PubChem CID83266029
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
SMILESCc1cnc(NCCc2nncn2C)cc1N
InChIInChI=1S/C11H16N6/c1-8-6-14-10(5-9(8)12)13-4-3-11-16-15-7-17(11)2/h5-7H,3-4H2,1-2H3,(H3,12,13,14)
InChIKeyCTDBLRPUPPJVRN-UHFFFAOYSA-N
XLogP0.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine (CID 83266029) is 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine is Cc1cnc(NCCc2nncn2C)cc1N.
What is the InChIKey of 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine?
The InChIKey is CTDBLRPUPPJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-6-14-10(5-9(8)12)13-4-3-11-16-15-7-17(11)2/h5-7H,3-4H2,1-2H3,(H3,12,13,14).
What are the key properties of 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine?
5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 83266029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).