5-(4-methylphenyl)-1,2,4-triazin-3-amine

C10H10N4 — CID 7176093

IUPAC5-(4-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(N)n2)cc1
InChIInChI=1S/C10H10N4/c1-7-2-4-8(5-3-7)9-6-12-14-10(11)13-9/h2-6H,1H3,(H2,11,13,14)
InChIKeySRECBXKODHBXNE-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.43
Rot. Bonds1

About 5-(4-methylphenyl)-1,2,4-triazin-3-amine

5-(4-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 7176093) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID7176093
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name5-(4-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(N)n2)cc1
InChIInChI=1S/C10H10N4/c1-7-2-4-8(5-3-7)9-6-12-14-10(11)13-9/h2-6H,1H3,(H2,11,13,14)
InChIKeySRECBXKODHBXNE-UHFFFAOYSA-N
XLogP1.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylphenyl)-1,2,4-triazin-3-amine (CID 7176093) is 5-(4-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-1,2,4-triazin-3-amine is Cc1ccc(-c2cnnc(N)n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is SRECBXKODHBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-7-2-4-8(5-3-7)9-6-12-14-10(11)13-9/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 5-(4-methylphenyl)-1,2,4-triazin-3-amine?
5-(4-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 186.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 7176093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).