2-methyl-4-(4-methylphenyl)-1H-triazete

C9H11N3 — CID 90215973

IUPAC2-methyl-4-(4-methylphenyl)-1H-triazete
SMILESCc1ccc(-c2nn(C)[nH]2)cc1
InChIInChI=1S/C9H11N3/c1-7-3-5-8(6-4-7)9-10-12(2)11-9/h3-6H,1-2H3,(H,10,11)
InChIKeyPOHHBSUUYMRAIO-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.72
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)-1H-triazete

2-methyl-4-(4-methylphenyl)-1H-triazete (PubChem CID 90215973) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-1H-triazete.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-1H-triazete
PubChem CID90215973
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-methyl-4-(4-methylphenyl)-1H-triazete
SMILESCc1ccc(-c2nn(C)[nH]2)cc1
InChIInChI=1S/C9H11N3/c1-7-3-5-8(6-4-7)9-10-12(2)11-9/h3-6H,1-2H3,(H,10,11)
InChIKeyPOHHBSUUYMRAIO-UHFFFAOYSA-N
XLogP1.72
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-1H-triazete?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-1H-triazete (CID 90215973) is 2-methyl-4-(4-methylphenyl)-1H-triazete.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-1H-triazete?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-1H-triazete is Cc1ccc(-c2nn(C)[nH]2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-1H-triazete?
The InChIKey is POHHBSUUYMRAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7-3-5-8(6-4-7)9-10-12(2)11-9/h3-6H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-4-(4-methylphenyl)-1H-triazete?
2-methyl-4-(4-methylphenyl)-1H-triazete has a molecular weight of 161.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-1H-triazete is sourced from PubChem (CID 90215973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).