2-N-ethylpyridine-2,5-diamine;hydrochloride

C7H12ClN3 — CID 134080457

IUPAC2-N-ethylpyridine-2,5-diamine;hydrochloride
SMILESCCNc1ccc(N)cn1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-2-9-7-4-3-6(8)5-10-7;/h3-5H,2,8H2,1H3,(H,9,10);1H
InChIKeyAINRLROBMWFPDO-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.52
Rot. Bonds2

About 2-N-ethylpyridine-2,5-diamine;hydrochloride

2-N-ethylpyridine-2,5-diamine;hydrochloride (PubChem CID 134080457) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 2-N-ethylpyridine-2,5-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-ethylpyridine-2,5-diamine;hydrochloride
PubChem CID134080457
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name2-N-ethylpyridine-2,5-diamine;hydrochloride
SMILESCCNc1ccc(N)cn1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-2-9-7-4-3-6(8)5-10-7;/h3-5H,2,8H2,1H3,(H,9,10);1H
InChIKeyAINRLROBMWFPDO-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethylpyridine-2,5-diamine;hydrochloride?
The IUPAC name of 2-N-ethylpyridine-2,5-diamine;hydrochloride (CID 134080457) is 2-N-ethylpyridine-2,5-diamine;hydrochloride.
What is the SMILES notation for 2-N-ethylpyridine-2,5-diamine;hydrochloride?
The canonical SMILES for 2-N-ethylpyridine-2,5-diamine;hydrochloride is CCNc1ccc(N)cn1.Cl.
What is the InChIKey of 2-N-ethylpyridine-2,5-diamine;hydrochloride?
The InChIKey is AINRLROBMWFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c1-2-9-7-4-3-6(8)5-10-7;/h3-5H,2,8H2,1H3,(H,9,10);1H.
What are the key properties of 2-N-ethylpyridine-2,5-diamine;hydrochloride?
2-N-ethylpyridine-2,5-diamine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylpyridine-2,5-diamine;hydrochloride is sourced from PubChem (CID 134080457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).