(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride

C9H14Cl2N4 — CID 165431577

IUPAC(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
SMILESCCc1nc2ccc(CN)cn2n1.Cl.Cl
InChIInChI=1S/C9H12N4.2ClH/c1-2-8-11-9-4-3-7(5-10)6-13(9)12-8;;/h3-4,6H,2,5,10H2,1H3;2*1H
InChIKeyPUOKQBQAIIZNQO-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.59
Rot. Bonds2

About (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride

(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride (PubChem CID 165431577) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
PubChem CID165431577
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
SMILESCCc1nc2ccc(CN)cn2n1.Cl.Cl
InChIInChI=1S/C9H12N4.2ClH/c1-2-8-11-9-4-3-7(5-10)6-13(9)12-8;;/h3-4,6H,2,5,10H2,1H3;2*1H
InChIKeyPUOKQBQAIIZNQO-UHFFFAOYSA-N
XLogP1.59
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride?
The IUPAC name of (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride (CID 165431577) is (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride is CCc1nc2ccc(CN)cn2n1.Cl.Cl.
What is the InChIKey of (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride?
The InChIKey is PUOKQBQAIIZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4.2ClH/c1-2-8-11-9-4-3-7(5-10)6-13(9)12-8;;/h3-4,6H,2,5,10H2,1H3;2*1H.
What are the key properties of (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride?
(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride is sourced from PubChem (CID 165431577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).