ethane;1-methyl-5-(3-methylphenyl)triazole

C12H17N3 — CID 176560147

IUPACethane;1-methyl-5-(3-methylphenyl)triazole
SMILESCC.Cc1cccc(-c2cnnn2C)c1
InChIInChI=1S/C10H11N3.C2H6/c1-8-4-3-5-9(6-8)10-7-11-12-13(10)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeySVLBQTVPJHQTFP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.82
Rot. Bonds1

About ethane;1-methyl-5-(3-methylphenyl)triazole

ethane;1-methyl-5-(3-methylphenyl)triazole (PubChem CID 176560147) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethane;1-methyl-5-(3-methylphenyl)triazole.

Molecular Properties

Compound Nameethane;1-methyl-5-(3-methylphenyl)triazole
PubChem CID176560147
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameethane;1-methyl-5-(3-methylphenyl)triazole
SMILESCC.Cc1cccc(-c2cnnn2C)c1
InChIInChI=1S/C10H11N3.C2H6/c1-8-4-3-5-9(6-8)10-7-11-12-13(10)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeySVLBQTVPJHQTFP-UHFFFAOYSA-N
XLogP2.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
5-(3-methylphenyl)-1-pyrrolidin-3-yltriazole
CID 115036803
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-[(3-methylphenyl)methyl]-5-phenyltriazole
CID 14612081
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-[2-methyl-5-(3-methylphenyl)phenyl]triazole
CID 172553076
3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 84707601
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
CID 83910681
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-(3-methylphenyl)triazole?
The IUPAC name of ethane;1-methyl-5-(3-methylphenyl)triazole (CID 176560147) is ethane;1-methyl-5-(3-methylphenyl)triazole.
What is the SMILES notation for ethane;1-methyl-5-(3-methylphenyl)triazole?
The canonical SMILES for ethane;1-methyl-5-(3-methylphenyl)triazole is CC.Cc1cccc(-c2cnnn2C)c1.
What is the InChIKey of ethane;1-methyl-5-(3-methylphenyl)triazole?
The InChIKey is SVLBQTVPJHQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C2H6/c1-8-4-3-5-9(6-8)10-7-11-12-13(10)2;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-5-(3-methylphenyl)triazole?
ethane;1-methyl-5-(3-methylphenyl)triazole has a molecular weight of 203.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-(3-methylphenyl)triazole is sourced from PubChem (CID 176560147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).