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

C10H10N4 — CID 130015648

IUPACN-(3-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nccnn2)c1
InChIInChI=1S/C10H10N4/c1-8-3-2-4-9(7-8)13-10-11-5-6-12-14-10/h2-7H,1H3,(H,11,13,14)
InChIKeyHYOOVIMZPKYDKB-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.92
Rot. Bonds2

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

N-(3-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 130015648) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID130015648
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC NameN-(3-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nccnn2)c1
InChIInChI=1S/C10H10N4/c1-8-3-2-4-9(7-8)13-10-11-5-6-12-14-10/h2-7H,1H3,(H,11,13,14)
InChIKeyHYOOVIMZPKYDKB-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-(3-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-methylphenyl)-1,2,4-triazin-3-amine (CID 130015648) is N-(3-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-methylphenyl)-1,2,4-triazin-3-amine is Cc1cccc(Nc2nccnn2)c1.
What is the InChIKey of N-(3-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is HYOOVIMZPKYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-8-3-2-4-9(7-8)13-10-11-5-6-12-14-10/h2-7H,1H3,(H,11,13,14).
What are the key properties of N-(3-methylphenyl)-1,2,4-triazin-3-amine?
N-(3-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-(3-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 130015648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).