3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine

C9H12N6 — CID 58399280

IUPAC3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine
SMILESCCn1cc(-c2ccc(N)nc2N)nn1
InChIInChI=1S/C9H12N6/c1-2-15-5-7(13-14-15)6-3-4-8(10)12-9(6)11/h3-5H,2H2,1H3,(H4,10,11,12)
InChIKeyBTOCWFNEYVHUCR-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.52
Rot. Bonds2

About 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine

3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine (PubChem CID 58399280) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine
PubChem CID58399280
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine
SMILESCCn1cc(-c2ccc(N)nc2N)nn1
InChIInChI=1S/C9H12N6/c1-2-15-5-7(13-14-15)6-3-4-8(10)12-9(6)11/h3-5H,2H2,1H3,(H4,10,11,12)
InChIKeyBTOCWFNEYVHUCR-UHFFFAOYSA-N
XLogP0.52
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine?
The IUPAC name of 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine (CID 58399280) is 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine?
The canonical SMILES for 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine is CCn1cc(-c2ccc(N)nc2N)nn1.
What is the InChIKey of 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine?
The InChIKey is BTOCWFNEYVHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-2-15-5-7(13-14-15)6-3-4-8(10)12-9(6)11/h3-5H,2H2,1H3,(H4,10,11,12).
What are the key properties of 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine?
3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine has a molecular weight of 204.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine is sourced from PubChem (CID 58399280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).