4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine

C19H17N5O — CID 118484334

IUPAC4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C19H17N5O/c1-12-9-15(25-19-17-5-4-8-24(17)22-11-20-19)6-7-16(12)18-13(2)10-21-23-14(18)3/h4-11H,1-3H3
InChIKeyKPNFJCOCTBUDIY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.90
Rot. Bonds3

About 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine

4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 118484334) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID118484334
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C19H17N5O/c1-12-9-15(25-19-17-5-4-8-24(17)22-11-20-19)6-7-16(12)18-13(2)10-21-23-14(18)3/h4-11H,1-3H3
InChIKeyKPNFJCOCTBUDIY-UHFFFAOYSA-N
XLogP3.90
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine (CID 118484334) is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine is Cc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)cnnc1C.
What is the InChIKey of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is KPNFJCOCTBUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-9-15(25-19-17-5-4-8-24(17)22-11-20-19)6-7-16(12)18-13(2)10-21-23-14(18)3/h4-11H,1-3H3.
What are the key properties of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine?
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 331.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 118484334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).