3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole

C14H13N3 — CID 91542919

IUPAC3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
SMILESCc1nnc(C)n1-c1cccc2ccccc12
InChIInChI=1S/C14H13N3/c1-10-15-16-11(2)17(10)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3
InChIKeyVPJYGGOZNHSKAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.04
Rot. Bonds1

About 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole

3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole (PubChem CID 91542919) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
PubChem CID91542919
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
SMILESCc1nnc(C)n1-c1cccc2ccccc12
InChIInChI=1S/C14H13N3/c1-10-15-16-11(2)17(10)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3
InChIKeyVPJYGGOZNHSKAC-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole
CID 163991724
3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole
CID 58240216
2-methyl-1-naphthalen-1-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858293
2-methyl-3-naphthalen-1-yl-4H-imidazo[4,5-b]pyridin-5-one
CID 58345682
5-methyl-2-methylsulfanyl-1-naphthalen-1-ylimidazole
CID 59225916
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
2-naphthalen-1-yltriazole
CID 57075336
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene
CID 20740992
1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole
CID 1207569
2-(4-methylphenyl)-1-naphthalen-1-ylimidazo[4,5-c]pyridine
CID 68643489

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole (CID 91542919) is 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole is Cc1nnc(C)n1-c1cccc2ccccc12.
What is the InChIKey of 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole?
The InChIKey is VPJYGGOZNHSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-15-16-11(2)17(10)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1-2H3.
What are the key properties of 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole?
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole has a molecular weight of 223.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole is sourced from PubChem (CID 91542919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).