[(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide

C13H14F6N5- — CID 144975811

IUPAC[(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide
SMILES[H]/N=C(/C=C(\N)C1C=CC=C(/C(N)=C/[C@@H]([NH-])C(F)(F)F)N1)C(F)(F)F
InChIInChI=1S/C13H14F6N5/c14-12(15,16)10(22)4-6(20)8-2-1-3-9(24-8)7(21)5-11(23)13(17,18)19/h1-5,8,11,22-24H,20-21H2/q-1/b6-4-,7-5-,22-10-/t8?,11-/m1/s1
InChIKeyUFMHVXMXDZPQRI-YOGCIKMMSA-N
MW354.28 g/mol
LogP2.65
Rot. Bonds4

About [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide

[(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide (PubChem CID 144975811) has the molecular formula C13H14F6N5- and a molecular weight of 354.28 g/mol. Its IUPAC name is [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide.

Molecular Properties

Compound Name[(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide
PubChem CID144975811
Molecular FormulaC13H14F6N5-
Molecular Weight354.28 g/mol
Exact Mass354.12
IUPAC Name[(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide
SMILES[H]/N=C(/C=C(\N)C1C=CC=C(/C(N)=C/[C@@H]([NH-])C(F)(F)F)N1)C(F)(F)F
InChIInChI=1S/C13H14F6N5/c14-12(15,16)10(22)4-6(20)8-2-1-3-9(24-8)7(21)5-11(23)13(17,18)19/h1-5,8,11,22-24H,20-21H2/q-1/b6-4-,7-5-,22-10-/t8?,11-/m1/s1
InChIKeyUFMHVXMXDZPQRI-YOGCIKMMSA-N
XLogP2.65
TPSA111.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide?
The IUPAC name of [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide (CID 144975811) is [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide.
What is the SMILES notation for [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide?
The canonical SMILES for [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide is [H]/N=C(/C=C(\N)C1C=CC=C(/C(N)=C/[C@@H]([NH-])C(F)(F)F)N1)C(F)(F)F.
What is the InChIKey of [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide?
The InChIKey is UFMHVXMXDZPQRI-YOGCIKMMSA-N. The full InChI is InChI=1S/C13H14F6N5/c14-12(15,16)10(22)4-6(20)8-2-1-3-9(24-8)7(21)5-11(23)13(17,18)19/h1-5,8,11,22-24H,20-21H2/q-1/b6-4-,7-5-,22-10-/t8?,11-/m1/s1.
What are the key properties of [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide?
[(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide has a molecular weight of 354.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-4-amino-4-[2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-1,2-dihydropyridin-6-yl]-1,1,1-trifluorobut-3-en-2-yl]azanide is sourced from PubChem (CID 144975811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).