5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole

C11H12N4 — CID 129369108

IUPAC5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
SMILESc1ccc2c(c1)CCC[C@H]2c1nn[nH]n1
InChIInChI=1S/C11H12N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-2,4,6,10H,3,5,7H2,(H,12,13,14,15)/t10-/m1/s1
InChIKeyDWBWEDMLSOJKOF-SNVBAGLBSA-N
MW200.25 g/mol
LogP1.67
Rot. Bonds1

About 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole

5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole (PubChem CID 129369108) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
PubChem CID129369108
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
SMILESc1ccc2c(c1)CCC[C@H]2c1nn[nH]n1
InChIInChI=1S/C11H12N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-2,4,6,10H,3,5,7H2,(H,12,13,14,15)/t10-/m1/s1
InChIKeyDWBWEDMLSOJKOF-SNVBAGLBSA-N
XLogP1.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole
CID 125485932
5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline
CID 167923299
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
5-(2,3-dihydro-1H-inden-2-yl)-2H-tetrazole
CID 65415499
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
CID 55175289
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 63247056

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole?
The IUPAC name of 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole (CID 129369108) is 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole?
The canonical SMILES for 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole is c1ccc2c(c1)CCC[C@H]2c1nn[nH]n1.
What is the InChIKey of 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole?
The InChIKey is DWBWEDMLSOJKOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-2,4,6,10H,3,5,7H2,(H,12,13,14,15)/t10-/m1/s1.
What are the key properties of 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole?
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole has a molecular weight of 200.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole is sourced from PubChem (CID 129369108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).