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

C10H10N4 — CID 130015645

IUPACN-(4-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nccnn2)cc1
InChIInChI=1S/C10H10N4/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-14-10/h2-7H,1H3,(H,11,13,14)
InChIKeyVNPXLBLUHINDJT-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.92
Rot. Bonds2

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

N-(4-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 130015645) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID130015645
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC NameN-(4-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nccnn2)cc1
InChIInChI=1S/C10H10N4/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-14-10/h2-7H,1H3,(H,11,13,14)
InChIKeyVNPXLBLUHINDJT-UHFFFAOYSA-N
XLogP1.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-methylphenyl)-1,2,4-triazin-3-amine (CID 130015645) is N-(4-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-methylphenyl)-1,2,4-triazin-3-amine is Cc1ccc(Nc2nccnn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is VNPXLBLUHINDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-14-10/h2-7H,1H3,(H,11,13,14).
What are the key properties of N-(4-methylphenyl)-1,2,4-triazin-3-amine?
N-(4-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 186.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 130015645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).