2-imino-1-methylpyridin-3-amine

C6H9N3 — CID 45087144

IUPAC2-imino-1-methylpyridin-3-amine
SMILES[H]/N=c1/c(N)cccn1C
InChIInChI=1S/C6H9N3/c1-9-4-2-3-5(7)6(9)8/h2-4,8H,7H2,1H3/b8-6-
InChIKeyKDFHPFKPIJASNP-VURMDHGXSA-N
MW123.16 g/mol
LogP0.09
Rot. Bonds

About 2-imino-1-methylpyridin-3-amine

2-imino-1-methylpyridin-3-amine (PubChem CID 45087144) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-imino-1-methylpyridin-3-amine.

Molecular Properties

Compound Name2-imino-1-methylpyridin-3-amine
PubChem CID45087144
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-imino-1-methylpyridin-3-amine
SMILES[H]/N=c1/c(N)cccn1C
InChIInChI=1S/C6H9N3/c1-9-4-2-3-5(7)6(9)8/h2-4,8H,7H2,1H3/b8-6-
InChIKeyKDFHPFKPIJASNP-VURMDHGXSA-N
XLogP0.09
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylpyridin-3-amine?
The IUPAC name of 2-imino-1-methylpyridin-3-amine (CID 45087144) is 2-imino-1-methylpyridin-3-amine.
What is the SMILES notation for 2-imino-1-methylpyridin-3-amine?
The canonical SMILES for 2-imino-1-methylpyridin-3-amine is [H]/N=c1/c(N)cccn1C.
What is the InChIKey of 2-imino-1-methylpyridin-3-amine?
The InChIKey is KDFHPFKPIJASNP-VURMDHGXSA-N. The full InChI is InChI=1S/C6H9N3/c1-9-4-2-3-5(7)6(9)8/h2-4,8H,7H2,1H3/b8-6-.
What are the key properties of 2-imino-1-methylpyridin-3-amine?
2-imino-1-methylpyridin-3-amine has a molecular weight of 123.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylpyridin-3-amine is sourced from PubChem (CID 45087144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).