4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole

C13H15N3 — CID 115395374

IUPAC4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
SMILESCn1cnnc1C1CCCc2ccccc21
InChIInChI=1S/C13H15N3/c1-16-9-14-15-13(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3
InChIKeyNGHAEKSNZZEJOV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.28
Rot. Bonds1

About 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole

4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole (PubChem CID 115395374) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
PubChem CID115395374
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
SMILESCn1cnnc1C1CCCc2ccccc21
InChIInChI=1S/C13H15N3/c1-16-9-14-15-13(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3
InChIKeyNGHAEKSNZZEJOV-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392059
1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 157234762
4-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 115390103
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 154774048
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
2-(4-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62694070
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
CID 115394710

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole (CID 115395374) is 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole is Cn1cnnc1C1CCCc2ccccc21.
What is the InChIKey of 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole?
The InChIKey is NGHAEKSNZZEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-14-15-13(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3.
What are the key properties of 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole?
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole has a molecular weight of 213.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole is sourced from PubChem (CID 115395374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).