(E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride

C10H14FN5O — CID 168935662

IUPAC(E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(N)=C\NC(C)c1ccnnc1OC
InChIInChI=1S/C10H14FN5O/c1-6(14-5-8(12)9(11)13)7-3-4-15-16-10(7)17-2/h3-6,13-14H,12H2,1-2H3/b8-5+,13-9-
InChIKeyRAQPDWDRJKCNKN-GKPGWJKISA-N
MW239.25 g/mol
LogP0.88
Rot. Bonds5

About (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride

(E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride (PubChem CID 168935662) has the molecular formula C10H14FN5O and a molecular weight of 239.25 g/mol. Its IUPAC name is (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride
PubChem CID168935662
Molecular FormulaC10H14FN5O
Molecular Weight239.25 g/mol
Exact Mass239.12
IUPAC Name(E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(N)=C\NC(C)c1ccnnc1OC
InChIInChI=1S/C10H14FN5O/c1-6(14-5-8(12)9(11)13)7-3-4-15-16-10(7)17-2/h3-6,13-14H,12H2,1-2H3/b8-5+,13-9-
InChIKeyRAQPDWDRJKCNKN-GKPGWJKISA-N
XLogP0.88
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride?
The IUPAC name of (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride (CID 168935662) is (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride.
What is the SMILES notation for (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride?
The canonical SMILES for (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride is [H]/N=C(F)/C(N)=C\NC(C)c1ccnnc1OC.
What is the InChIKey of (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride?
The InChIKey is RAQPDWDRJKCNKN-GKPGWJKISA-N. The full InChI is InChI=1S/C10H14FN5O/c1-6(14-5-8(12)9(11)13)7-3-4-15-16-10(7)17-2/h3-6,13-14H,12H2,1-2H3/b8-5+,13-9-.
What are the key properties of (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride?
(E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride has a molecular weight of 239.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-[1-(3-methoxypyridazin-4-yl)ethylamino]prop-2-enimidoyl fluoride is sourced from PubChem (CID 168935662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).