2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride

C11H16Cl2N4 — CID 146064771

IUPAC2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride
SMILESCc1cnc(-c2cccnc2)n1CCN.Cl.Cl
InChIInChI=1S/C11H14N4.2ClH/c1-9-7-14-11(15(9)6-4-12)10-3-2-5-13-8-10;;/h2-3,5,7-8H,4,6,12H2,1H3;2*1H
InChIKeyPTDZOCJWZFHZSK-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.06
Rot. Bonds3

About 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride

2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride (PubChem CID 146064771) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride
PubChem CID146064771
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride
SMILESCc1cnc(-c2cccnc2)n1CCN.Cl.Cl
InChIInChI=1S/C11H14N4.2ClH/c1-9-7-14-11(15(9)6-4-12)10-3-2-5-13-8-10;;/h2-3,5,7-8H,4,6,12H2,1H3;2*1H
InChIKeyPTDZOCJWZFHZSK-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride (CID 146064771) is 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride is Cc1cnc(-c2cccnc2)n1CCN.Cl.Cl.
What is the InChIKey of 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride?
The InChIKey is PTDZOCJWZFHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.2ClH/c1-9-7-14-11(15(9)6-4-12)10-3-2-5-13-8-10;;/h2-3,5,7-8H,4,6,12H2,1H3;2*1H.
What are the key properties of 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride?
2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridin-3-ylimidazol-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 146064771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).