3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine

C14H11ClF2N6O — CID 162723335

IUPAC3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(C(F)F)cn2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C14H11ClF2N6O/c1-23-10(7-24-12-5-4-11(15)19-20-12)13(21-22-23)9-3-2-8(6-18-9)14(16)17/h2-6,14H,7H2,1H3
InChIKeyOJNWNSIWBCBYQZ-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.84
Rot. Bonds5

About 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine

3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 162723335) has the molecular formula C14H11ClF2N6O and a molecular weight of 352.73 g/mol. Its IUPAC name is 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID162723335
Molecular FormulaC14H11ClF2N6O
Molecular Weight352.73 g/mol
Exact Mass352.07
IUPAC Name3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(C(F)F)cn2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C14H11ClF2N6O/c1-23-10(7-24-12-5-4-11(15)19-20-12)13(21-22-23)9-3-2-8(6-18-9)14(16)17/h2-6,14H,7H2,1H3
InChIKeyOJNWNSIWBCBYQZ-UHFFFAOYSA-N
XLogP2.84
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine (CID 162723335) is 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine is Cn1nnc(-c2ccc(C(F)F)cn2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is OJNWNSIWBCBYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N6O/c1-23-10(7-24-12-5-4-11(15)19-20-12)13(21-22-23)9-3-2-8(6-18-9)14(16)17/h2-6,14H,7H2,1H3.
What are the key properties of 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 352.73 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 162723335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).