4-ethylpyridine-2,3,5-triamine

C7H12N4 — CID 21436319

IUPAC4-ethylpyridine-2,3,5-triamine
SMILESCCc1c(N)cnc(N)c1N
InChIInChI=1S/C7H12N4/c1-2-4-5(8)3-11-7(10)6(4)9/h3H,2,8-9H2,1H3,(H2,10,11)
InChIKeyYOZJTYFGTFMCFS-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.39
Rot. Bonds1

About 4-ethylpyridine-2,3,5-triamine

4-ethylpyridine-2,3,5-triamine (PubChem CID 21436319) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-ethylpyridine-2,3,5-triamine.

Molecular Properties

Compound Name4-ethylpyridine-2,3,5-triamine
PubChem CID21436319
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-ethylpyridine-2,3,5-triamine
SMILESCCc1c(N)cnc(N)c1N
InChIInChI=1S/C7H12N4/c1-2-4-5(8)3-11-7(10)6(4)9/h3H,2,8-9H2,1H3,(H2,10,11)
InChIKeyYOZJTYFGTFMCFS-UHFFFAOYSA-N
XLogP0.39
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyridine-2,3,5-triamine?
The IUPAC name of 4-ethylpyridine-2,3,5-triamine (CID 21436319) is 4-ethylpyridine-2,3,5-triamine.
What is the SMILES notation for 4-ethylpyridine-2,3,5-triamine?
The canonical SMILES for 4-ethylpyridine-2,3,5-triamine is CCc1c(N)cnc(N)c1N.
What is the InChIKey of 4-ethylpyridine-2,3,5-triamine?
The InChIKey is YOZJTYFGTFMCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-4-5(8)3-11-7(10)6(4)9/h3H,2,8-9H2,1H3,(H2,10,11).
What are the key properties of 4-ethylpyridine-2,3,5-triamine?
4-ethylpyridine-2,3,5-triamine has a molecular weight of 152.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyridine-2,3,5-triamine is sourced from PubChem (CID 21436319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).