4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine

C19H18N6 — CID 167849564

IUPAC4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine
SMILESc1cncc(Cc2nc(C34CC5CC3C4C5)n(-c3ccnnc3)n2)c1
InChIInChI=1S/C19H18N6/c1-2-12(10-20-4-1)8-17-23-18(19-9-13-6-15(19)16(19)7-13)25(24-17)14-3-5-21-22-11-14/h1-5,10-11,13,15-16H,6-9H2
InChIKeyOBFQWBBSLMMHJZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.34
Rot. Bonds4

About 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine

4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine (PubChem CID 167849564) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine.

Molecular Properties

Compound Name4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine
PubChem CID167849564
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine
SMILESc1cncc(Cc2nc(C34CC5CC3C4C5)n(-c3ccnnc3)n2)c1
InChIInChI=1S/C19H18N6/c1-2-12(10-20-4-1)8-17-23-18(19-9-13-6-15(19)16(19)7-13)25(24-17)14-3-5-21-22-11-14/h1-5,10-11,13,15-16H,6-9H2
InChIKeyOBFQWBBSLMMHJZ-UHFFFAOYSA-N
XLogP2.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine with MolForge

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Related Compounds

3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine
CID 131946942
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine
CID 155965891
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
1-(1-adamantyl)-3-pyridin-3-ylpropan-1-one
CID 23355088
2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 12988221
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 3148505
5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 146084988
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
CID 50985323

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine?
The IUPAC name of 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine (CID 167849564) is 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine.
What is the SMILES notation for 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine?
The canonical SMILES for 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine is c1cncc(Cc2nc(C34CC5CC3C4C5)n(-c3ccnnc3)n2)c1.
What is the InChIKey of 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine?
The InChIKey is OBFQWBBSLMMHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-12(10-20-4-1)8-17-23-18(19-9-13-6-15(19)16(19)7-13)25(24-17)14-3-5-21-22-11-14/h1-5,10-11,13,15-16H,6-9H2.
What are the key properties of 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine?
4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine has a molecular weight of 330.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-3-ylmethyl)-5-(1-tricyclo[2.2.1.02,6]heptanyl)-1,2,4-triazol-1-yl]pyridazine is sourced from PubChem (CID 167849564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).