N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine

C9H12N4 — CID 11030350

IUPACN-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine
SMILESCN1CCN=C1Nc1cccnc1
InChIInChI=1S/C9H12N4/c1-13-6-5-11-9(13)12-8-3-2-4-10-7-8/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyAJMCZTATTXWILJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.79
Rot. Bonds1

About N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine

N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine (PubChem CID 11030350) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine
PubChem CID11030350
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine
SMILESCN1CCN=C1Nc1cccnc1
InChIInChI=1S/C9H12N4/c1-13-6-5-11-9(13)12-8-3-2-4-10-7-8/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyAJMCZTATTXWILJ-UHFFFAOYSA-N
XLogP0.79
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine?
The IUPAC name of N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine (CID 11030350) is N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine is CN1CCN=C1Nc1cccnc1.
What is the InChIKey of N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine?
The InChIKey is AJMCZTATTXWILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-6-5-11-9(13)12-8-3-2-4-10-7-8/h2-4,7H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine?
N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine has a molecular weight of 176.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 11030350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).