1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine

C9H12N4 — CID 10725962

IUPAC1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1cccnc1
InChIInChI=1S/C9H12N4/c10-9-12-4-5-13(9)7-8-2-1-3-11-6-8/h1-3,6H,4-5,7H2,(H2,10,12)
InChIKeyZCDGHEWSWOTSGZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.21
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine

1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 10725962) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID10725962
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1cccnc1
InChIInChI=1S/C9H12N4/c10-9-12-4-5-13(9)7-8-2-1-3-11-6-8/h1-3,6H,4-5,7H2,(H2,10,12)
InChIKeyZCDGHEWSWOTSGZ-UHFFFAOYSA-N
XLogP0.21
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 10725962) is 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCCN1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZCDGHEWSWOTSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-9-12-4-5-13(9)7-8-2-1-3-11-6-8/h1-3,6H,4-5,7H2,(H2,10,12).
What are the key properties of 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine?
1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 10725962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).