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

C16H17N3 — CID 115394153

IUPAC3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
SMILESc1ccc2c(c1)CCC1C2C1c1nncn1C1CC1
InChIInChI=1S/C16H17N3/c1-2-4-12-10(3-1)5-8-13-14(12)15(13)16-18-17-9-19(16)11-6-7-11/h1-4,9,11,13-15H,5-8H2
InChIKeyWABCMDDGOUEEDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.06
Rot. Bonds2

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

3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole (PubChem CID 115394153) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
PubChem CID115394153
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
SMILESc1ccc2c(c1)CCC1C2C1c1nncn1C1CC1
InChIInChI=1S/C16H17N3/c1-2-4-12-10(3-1)5-8-13-14(12)15(13)16-18-17-9-19(16)11-6-7-11/h1-4,9,11,13-15H,5-8H2
InChIKeyWABCMDDGOUEEDO-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.06
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-ethyl-1,2,4-triazole
CID 115394710
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596259
(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
4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole
CID 113301117
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
[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
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019
4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-triazole
CID 113301154
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389655
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
CID 115395374
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
CID 112562111
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole
CID 112572030

Frequently Asked Questions

What is the IUPAC name of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole (CID 115394153) is 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole is c1ccc2c(c1)CCC1C2C1c1nncn1C1CC1.
What is the InChIKey of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole?
The InChIKey is WABCMDDGOUEEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-4-12-10(3-1)5-8-13-14(12)15(13)16-18-17-9-19(16)11-6-7-11/h1-4,9,11,13-15H,5-8H2.
What are the key properties of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole?
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole has a molecular weight of 251.33 g/mol, XLogP of 3.06, 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-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 115394153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).