4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

C19H22F3N9 — CID 59191454

IUPAC4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCc1c(Cc2nnnn2C)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C
InChIInChI=1S/C19H22F3N9/c1-12-13(2)18(26-24-15(12)10-17-25-27-28-29(17)3)31-8-6-30(7-9-31)16-5-4-14(11-23-16)19(20,21)22/h4-5,11H,6-10H2,1-3H3
InChIKeyOXIZOJVFTBHTCB-UHFFFAOYSA-N
MW433.44 g/mol
LogP1.95
Rot. Bonds4

About 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (PubChem CID 59191454) has the molecular formula C19H22F3N9 and a molecular weight of 433.44 g/mol. Its IUPAC name is 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
PubChem CID59191454
Molecular FormulaC19H22F3N9
Molecular Weight433.44 g/mol
Exact Mass433.20
IUPAC Name4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCc1c(Cc2nnnn2C)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C
InChIInChI=1S/C19H22F3N9/c1-12-13(2)18(26-24-15(12)10-17-25-27-28-29(17)3)31-8-6-30(7-9-31)16-5-4-14(11-23-16)19(20,21)22/h4-5,11H,6-10H2,1-3H3
InChIKeyOXIZOJVFTBHTCB-UHFFFAOYSA-N
XLogP1.95
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]methanamine
CID 162561444
2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile
CID 59191484
N'-(dimethylamino)-2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]ethanimidamide
CID 143926444
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 57471599
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-(1-phenyltetrazol-5-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 9292723
1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 36922021

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The IUPAC name of 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (CID 59191454) is 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is Cc1c(Cc2nnnn2C)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The InChIKey is OXIZOJVFTBHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N9/c1-12-13(2)18(26-24-15(12)10-17-25-27-28-29(17)3)31-8-6-30(7-9-31)16-5-4-14(11-23-16)19(20,21)22/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine has a molecular weight of 433.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 59191454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).