(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine

C34H22Cl2F12N14O3 — CID 160824144

IUPAC(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine
SMILESNNc1cc(Cl)ncn1.O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cc(Cl)ncn1.O=C(O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H10ClF6N7O.C13H7F6N3O2.C4H5ClN4/c18-12-6-13(26-7-25-12)28-29-14(32)1-2-31-8-27-15(30-31)9-3-10(16(19,20)21)5-11(4-9)17(22,23)24;14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-20-6-22(21-11)2-1-10(23)24;5-3-1-4(9-6)8-2-7-3/h1-8H,(H,29,32)(H,25,26,28);1-6H,(H,23,24);1-2H,6H2,(H,7,8,9)/b2*2-1-;
InChIKeySFYBDADZAKGXLX-PAMPIZDHSA-N
MW973.53 g/mol
LogP7.99
Rot. Bonds9

About (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine

(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine (PubChem CID 160824144) has the molecular formula C34H22Cl2F12N14O3 and a molecular weight of 973.53 g/mol. Its IUPAC name is (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine
PubChem CID160824144
Molecular FormulaC34H22Cl2F12N14O3
Molecular Weight973.53 g/mol
Exact Mass972.12
IUPAC Name(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine
SMILESNNc1cc(Cl)ncn1.O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cc(Cl)ncn1.O=C(O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H10ClF6N7O.C13H7F6N3O2.C4H5ClN4/c18-12-6-13(26-7-25-12)28-29-14(32)1-2-31-8-27-15(30-31)9-3-10(16(19,20)21)5-11(4-9)17(22,23)24;14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-20-6-22(21-11)2-1-10(23)24;5-3-1-4(9-6)8-2-7-3/h1-8H,(H,29,32)(H,25,26,28);1-6H,(H,23,24);1-2H,6H2,(H,7,8,9)/b2*2-1-;
InChIKeySFYBDADZAKGXLX-PAMPIZDHSA-N
XLogP7.99
TPSA229.46 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.53
LogP ≤ 57.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine?
The IUPAC name of (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine (CID 160824144) is (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine.
What is the SMILES notation for (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine?
The canonical SMILES for (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine is NNc1cc(Cl)ncn1.O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cc(Cl)ncn1.O=C(O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine?
The InChIKey is SFYBDADZAKGXLX-PAMPIZDHSA-N. The full InChI is InChI=1S/C17H10ClF6N7O.C13H7F6N3O2.C4H5ClN4/c18-12-6-13(26-7-25-12)28-29-14(32)1-2-31-8-27-15(30-31)9-3-10(16(19,20)21)5-11(4-9)17(22,23)24;14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-20-6-22(21-11)2-1-10(23)24;5-3-1-4(9-6)8-2-7-3/h1-8H,(H,29,32)(H,25,26,28);1-6H,(H,23,24);1-2H,6H2,(H,7,8,9)/b2*2-1-;.
What are the key properties of (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine?
(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine has a molecular weight of 973.53 g/mol, XLogP of 7.99, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(6-chloropyrimidin-4-yl)prop-2-enehydrazide;(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;(6-chloropyrimidin-4-yl)hydrazine is sourced from PubChem (CID 160824144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).