6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide

C15H12F3N7O — CID 177237600

IUPAC6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide
SMILESNc1nc(C(F)(F)F)nn1-c1cc(C(=O)NCc2ccccc2)cnn1
InChIInChI=1S/C15H12F3N7O/c16-15(17,18)13-22-14(19)25(24-13)11-6-10(8-21-23-11)12(26)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,26)(H2,19,22,24)
InChIKeyNWUBIPIWNXRVPK-UHFFFAOYSA-N
MW363.30 g/mol
LogP1.59
Rot. Bonds4

About 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide

6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide (PubChem CID 177237600) has the molecular formula C15H12F3N7O and a molecular weight of 363.30 g/mol. Its IUPAC name is 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide
PubChem CID177237600
Molecular FormulaC15H12F3N7O
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide
SMILESNc1nc(C(F)(F)F)nn1-c1cc(C(=O)NCc2ccccc2)cnn1
InChIInChI=1S/C15H12F3N7O/c16-15(17,18)13-22-14(19)25(24-13)11-6-10(8-21-23-11)12(26)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,26)(H2,19,22,24)
InChIKeyNWUBIPIWNXRVPK-UHFFFAOYSA-N
XLogP1.59
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide?
The IUPAC name of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide (CID 177237600) is 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide.
What is the SMILES notation for 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide?
The canonical SMILES for 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide is Nc1nc(C(F)(F)F)nn1-c1cc(C(=O)NCc2ccccc2)cnn1.
What is the InChIKey of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide?
The InChIKey is NWUBIPIWNXRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7O/c16-15(17,18)13-22-14(19)25(24-13)11-6-10(8-21-23-11)12(26)20-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,26)(H2,19,22,24).
What are the key properties of 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide?
6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide is sourced from PubChem (CID 177237600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).