1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride

C13H19ClN4 — CID 162675845

IUPAC1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2cccnc2)nc1N.Cl
InChIInChI=1S/C13H18N4.ClH/c1-2-3-4-8-17-10-12(16-13(17)14)11-6-5-7-15-9-11;/h5-7,9-10H,2-4,8H2,1H3,(H2,14,16);1H
InChIKeyYEMIXNAAOWWEFO-UHFFFAOYSA-N
MW266.78 g/mol
LogP3.14
Rot. Bonds5

About 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride

1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride (PubChem CID 162675845) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride
PubChem CID162675845
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2cccnc2)nc1N.Cl
InChIInChI=1S/C13H18N4.ClH/c1-2-3-4-8-17-10-12(16-13(17)14)11-6-5-7-15-9-11;/h5-7,9-10H,2-4,8H2,1H3,(H2,14,16);1H
InChIKeyYEMIXNAAOWWEFO-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride?
The IUPAC name of 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride (CID 162675845) is 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride is CCCCCn1cc(-c2cccnc2)nc1N.Cl.
What is the InChIKey of 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride?
The InChIKey is YEMIXNAAOWWEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.ClH/c1-2-3-4-8-17-10-12(16-13(17)14)11-6-5-7-15-9-11;/h5-7,9-10H,2-4,8H2,1H3,(H2,14,16);1H.
What are the key properties of 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride?
1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride has a molecular weight of 266.78 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-pyridin-3-ylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 162675845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).