5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

C15H12ClF3N6 — CID 139027073

IUPAC5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c(Cl)c1
InChIInChI=1S/C15H12ClF3N6/c16-11-7-10(8-20)9-21-14(11)25-5-3-24(4-6-25)13-2-1-12(22-23-13)15(17,18)19/h1-2,7,9H,3-6H2
InChIKeyVCOKNGRIWJHIQV-UHFFFAOYSA-N
MW368.75 g/mol
LogP2.74
Rot. Bonds2

About 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 139027073) has the molecular formula C15H12ClF3N6 and a molecular weight of 368.75 g/mol. Its IUPAC name is 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID139027073
Molecular FormulaC15H12ClF3N6
Molecular Weight368.75 g/mol
Exact Mass368.08
IUPAC Name5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c(Cl)c1
InChIInChI=1S/C15H12ClF3N6/c16-11-7-10(8-20)9-21-14(11)25-5-3-24(4-6-25)13-2-1-12(22-23-13)15(17,18)19/h1-2,7,9H,3-6H2
InChIKeyVCOKNGRIWJHIQV-UHFFFAOYSA-N
XLogP2.74
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
CID 155974931
4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133433651
4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 8908387
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 26452877
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridazine-3-carbonitrile
CID 163351761
6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 167767188
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(5-nitro-2-pyridinyl)-1,4-diazepane
CID 26448463
5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 56816116
5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56795550
5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine
CID 163343882

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 139027073) is 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cnc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VCOKNGRIWJHIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N6/c16-11-7-10(8-20)9-21-14(11)25-5-3-24(4-6-25)13-2-1-12(22-23-13)15(17,18)19/h1-2,7,9H,3-6H2.
What are the key properties of 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 368.75 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 139027073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).