6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine

C18H23N3O — CID 144721606

IUPAC6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC12CCC[C@H](COc3cc4nncn4cc3C3CC3)[C@@H]1C2
InChIInChI=1S/C18H23N3O/c1-18-6-2-3-13(15(18)8-18)10-22-16-7-17-20-19-11-21(17)9-14(16)12-4-5-12/h7,9,11-13,15H,2-6,8,10H2,1H3/t13-,15+,18?/m1/s1
InChIKeyUXESAVOAMSUUKG-PWXCZCIESA-N
MW297.40 g/mol
LogP3.81
Rot. Bonds4

About 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine

6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 144721606) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID144721606
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC12CCC[C@H](COc3cc4nncn4cc3C3CC3)[C@@H]1C2
InChIInChI=1S/C18H23N3O/c1-18-6-2-3-13(15(18)8-18)10-22-16-7-17-20-19-11-21(17)9-14(16)12-4-5-12/h7,9,11-13,15H,2-6,8,10H2,1H3/t13-,15+,18?/m1/s1
InChIKeyUXESAVOAMSUUKG-PWXCZCIESA-N
XLogP3.81
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine (CID 144721606) is 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine is CC12CCC[C@H](COc3cc4nncn4cc3C3CC3)[C@@H]1C2.
What is the InChIKey of 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UXESAVOAMSUUKG-PWXCZCIESA-N. The full InChI is InChI=1S/C18H23N3O/c1-18-6-2-3-13(15(18)8-18)10-22-16-7-17-20-19-11-21(17)9-14(16)12-4-5-12/h7,9,11-13,15H,2-6,8,10H2,1H3/t13-,15+,18?/m1/s1.
What are the key properties of 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 297.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 144721606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).