3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole

C15H17N3 — CID 115394710

IUPAC3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1C1C2CCc3ccccc3C21
InChIInChI=1S/C15H17N3/c1-2-18-9-16-17-15(18)14-12-8-7-10-5-3-4-6-11(10)13(12)14/h3-6,9,12-14H,2,7-8H2,1H3
InChIKeyGKDXECBSQLUKDE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.74
Rot. Bonds2

About 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole

3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole (PubChem CID 115394710) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
PubChem CID115394710
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1C1C2CCc3ccccc3C21
InChIInChI=1S/C15H17N3/c1-2-18-9-16-17-15(18)14-12-8-7-10-5-3-4-6-11(10)13(12)14/h3-6,9,12-14H,2,7-8H2,1H3
InChIKeyGKDXECBSQLUKDE-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394153
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389655
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596259
[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 115944003
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
CID 115395374
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
CID 129342975
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
CID 115798870
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
CID 164667716
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)butan-1-one
CID 114962262

Frequently Asked Questions

What is the IUPAC name of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole (CID 115394710) is 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole is CCn1cnnc1C1C2CCc3ccccc3C21.
What is the InChIKey of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole?
The InChIKey is GKDXECBSQLUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-18-9-16-17-15(18)14-12-8-7-10-5-3-4-6-11(10)13(12)14/h3-6,9,12-14H,2,7-8H2,1H3.
What are the key properties of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole?
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole has a molecular weight of 239.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 115394710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).