5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine

C9H13N3O — CID 169463540

IUPAC5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(C=CCN)cc1N
InChIInChI=1S/C9H13N3O/c1-13-9-8(11)5-7(6-12-9)3-2-4-10/h2-3,5-6H,4,10-11H2,1H3
InChIKeyKQZDOZILUSPTJE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.64
Rot. Bonds3

About 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine

5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine (PubChem CID 169463540) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
PubChem CID169463540
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(C=CCN)cc1N
InChIInChI=1S/C9H13N3O/c1-13-9-8(11)5-7(6-12-9)3-2-4-10/h2-3,5-6H,4,10-11H2,1H3
InChIKeyKQZDOZILUSPTJE-UHFFFAOYSA-N
XLogP0.64
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine?
The IUPAC name of 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine (CID 169463540) is 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine is COc1ncc(C=CCN)cc1N.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine?
The InChIKey is KQZDOZILUSPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9-8(11)5-7(6-12-9)3-2-4-10/h2-3,5-6H,4,10-11H2,1H3.
What are the key properties of 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine?
5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 169463540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).