(Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine

C18H14F6N6 — CID 155443623

IUPAC(Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine
SMILESN/C(=C\N(N)c1cccnc1)c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H14F6N6/c19-17(20,21)15-8-16(18(22,23)24)30(28-15)12-5-3-11(4-6-12)14(25)10-29(26)13-2-1-7-27-9-13/h1-10H,25-26H2/b14-10-
InChIKeyFRKRHFZEJQFOQO-UVTDQMKNSA-N
MW428.34 g/mol
LogP3.94
Rot. Bonds4

About (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine

(Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine (PubChem CID 155443623) has the molecular formula C18H14F6N6 and a molecular weight of 428.34 g/mol. Its IUPAC name is (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine
PubChem CID155443623
Molecular FormulaC18H14F6N6
Molecular Weight428.34 g/mol
Exact Mass428.12
IUPAC Name(Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine
SMILESN/C(=C\N(N)c1cccnc1)c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H14F6N6/c19-17(20,21)15-8-16(18(22,23)24)30(28-15)12-5-3-11(4-6-12)14(25)10-29(26)13-2-1-7-27-9-13/h1-10H,25-26H2/b14-10-
InChIKeyFRKRHFZEJQFOQO-UVTDQMKNSA-N
XLogP3.94
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine?
The IUPAC name of (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine (CID 155443623) is (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine.
What is the SMILES notation for (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine?
The canonical SMILES for (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine is N/C(=C\N(N)c1cccnc1)c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine?
The InChIKey is FRKRHFZEJQFOQO-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H14F6N6/c19-17(20,21)15-8-16(18(22,23)24)30(28-15)12-5-3-11(4-6-12)14(25)10-29(26)13-2-1-7-27-9-13/h1-10H,25-26H2/b14-10-.
What are the key properties of (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine?
(Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine has a molecular weight of 428.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(pyridin-3-yl)amino]-1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethenamine is sourced from PubChem (CID 155443623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).