2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride

C10H16ClN5 — CID 118730404

IUPAC2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride
SMILESCCNc1ccc(NC2=NCCN2)nc1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-2-11-8-3-4-9(14-7-8)15-10-12-5-6-13-10;/h3-4,7,11H,2,5-6H2,1H3,(H2,12,13,14,15);1H
InChIKeyHTURSDSZRVQFHS-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.31
Rot. Bonds3

About 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride

2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride (PubChem CID 118730404) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride
PubChem CID118730404
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride
SMILESCCNc1ccc(NC2=NCCN2)nc1.Cl
InChIInChI=1S/C10H15N5.ClH/c1-2-11-8-3-4-9(14-7-8)15-10-12-5-6-13-10;/h3-4,7,11H,2,5-6H2,1H3,(H2,12,13,14,15);1H
InChIKeyHTURSDSZRVQFHS-UHFFFAOYSA-N
XLogP1.31
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride?
The IUPAC name of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride (CID 118730404) is 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride?
The canonical SMILES for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride is CCNc1ccc(NC2=NCCN2)nc1.Cl.
What is the InChIKey of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride?
The InChIKey is HTURSDSZRVQFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c1-2-11-8-3-4-9(14-7-8)15-10-12-5-6-13-10;/h3-4,7,11H,2,5-6H2,1H3,(H2,12,13,14,15);1H.
What are the key properties of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride?
2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride has a molecular weight of 241.73 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-5-N-ethylpyridine-2,5-diamine;hydrochloride is sourced from PubChem (CID 118730404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).