N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride

C7H12FN5 — CID 163794306

IUPACN-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride
SMILES[H]/N=C(N)/C(N)=C(\N=C(C)F)NC=C
InChIInChI=1S/C7H12FN5/c1-3-12-7(13-4(2)8)5(9)6(10)11/h3,12H,1,9H2,2H3,(H3,10,11)/b7-5+,13-4?
InChIKeyMZLUNYAAKYNKQT-SKLGPPTQSA-N
MW185.21 g/mol
LogP0.17
Rot. Bonds4

About N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride

N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride (PubChem CID 163794306) has the molecular formula C7H12FN5 and a molecular weight of 185.21 g/mol. Its IUPAC name is N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride
PubChem CID163794306
Molecular FormulaC7H12FN5
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC NameN-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride
SMILES[H]/N=C(N)/C(N)=C(\N=C(C)F)NC=C
InChIInChI=1S/C7H12FN5/c1-3-12-7(13-4(2)8)5(9)6(10)11/h3,12H,1,9H2,2H3,(H3,10,11)/b7-5+,13-4?
InChIKeyMZLUNYAAKYNKQT-SKLGPPTQSA-N
XLogP0.17
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride (CID 163794306) is N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride is [H]/N=C(N)/C(N)=C(\N=C(C)F)NC=C.
What is the InChIKey of N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride?
The InChIKey is MZLUNYAAKYNKQT-SKLGPPTQSA-N. The full InChI is InChI=1S/C7H12FN5/c1-3-12-7(13-4(2)8)5(9)6(10)11/h3,12H,1,9H2,2H3,(H3,10,11)/b7-5+,13-4?.
What are the key properties of N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride?
N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride has a molecular weight of 185.21 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-diamino-1-(ethenylamino)-3-iminoprop-1-enyl]ethanimidoyl fluoride is sourced from PubChem (CID 163794306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).