1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine

C10H12N4 — CID 82463629

IUPAC1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine
SMILESCC(N)c1cnc(-c2cccnc2)[nH]1
InChIInChI=1S/C10H12N4/c1-7(11)9-6-13-10(14-9)8-3-2-4-12-5-8/h2-7H,11H2,1H3,(H,13,14)
InChIKeyGTBBDEPVXDPWJG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine

1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine (PubChem CID 82463629) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine
PubChem CID82463629
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine
SMILESCC(N)c1cnc(-c2cccnc2)[nH]1
InChIInChI=1S/C10H12N4/c1-7(11)9-6-13-10(14-9)8-3-2-4-12-5-8/h2-7H,11H2,1H3,(H,13,14)
InChIKeyGTBBDEPVXDPWJG-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine (CID 82463629) is 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine is CC(N)c1cnc(-c2cccnc2)[nH]1.
What is the InChIKey of 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine?
The InChIKey is GTBBDEPVXDPWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(11)9-6-13-10(14-9)8-3-2-4-12-5-8/h2-7H,11H2,1H3,(H,13,14).
What are the key properties of 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine?
1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 82463629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).