N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine

C10H15N3O — CID 119094680

IUPACN-propan-2-yl-6-prop-2-enoxypyridazin-3-amine
SMILESC=CCOc1ccc(NC(C)C)nn1
InChIInChI=1S/C10H15N3O/c1-4-7-14-10-6-5-9(12-13-10)11-8(2)3/h4-6,8H,1,7H2,2-3H3,(H,11,12)
InChIKeyHUUYUYVIPSCARC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.86
Rot. Bonds5

About N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine

N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine (PubChem CID 119094680) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-prop-2-enoxypyridazin-3-amine
PubChem CID119094680
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-propan-2-yl-6-prop-2-enoxypyridazin-3-amine
SMILESC=CCOc1ccc(NC(C)C)nn1
InChIInChI=1S/C10H15N3O/c1-4-7-14-10-6-5-9(12-13-10)11-8(2)3/h4-6,8H,1,7H2,2-3H3,(H,11,12)
InChIKeyHUUYUYVIPSCARC-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine?
The IUPAC name of N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine (CID 119094680) is N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine.
What is the SMILES notation for N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine?
The canonical SMILES for N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine is C=CCOc1ccc(NC(C)C)nn1.
What is the InChIKey of N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine?
The InChIKey is HUUYUYVIPSCARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-7-14-10-6-5-9(12-13-10)11-8(2)3/h4-6,8H,1,7H2,2-3H3,(H,11,12).
What are the key properties of N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine?
N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-prop-2-enoxypyridazin-3-amine is sourced from PubChem (CID 119094680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).