5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione

C13H10N4S — CID 23412155

IUPAC5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione
SMILESS=c1nc(Nc2ccc3ccccc3c2)cn[nH]1
InChIInChI=1S/C13H10N4S/c18-13-16-12(8-14-17-13)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,15,16,17,18)
InChIKeyHGTSFMRYCRLSMH-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.43
Rot. Bonds2

About 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione

5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione (PubChem CID 23412155) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione.

Molecular Properties

Compound Name5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione
PubChem CID23412155
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione
SMILESS=c1nc(Nc2ccc3ccccc3c2)cn[nH]1
InChIInChI=1S/C13H10N4S/c18-13-16-12(8-14-17-13)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,15,16,17,18)
InChIKeyHGTSFMRYCRLSMH-UHFFFAOYSA-N
XLogP3.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179
5-(3,5-dichloroanilino)-2H-1,2,4-triazine-3-thione
CID 23412130
5-(naphthalen-1-ylamino)-2H-1,2,4-triazine-3-thione
CID 23412159
2-N-naphthalen-2-ylpyrazine-2,6-diamine
CID 80647570
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
5-(2,4-dimethylanilino)-2H-1,2,4-triazine-3-thione
CID 2134065
N-naphthalen-2-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174861
N-pentacen-2-ylpentacen-2-amine
CID 91227915
5-(1-phenylethylamino)-2H-1,2,4-triazine-3-thione
CID 23412209
2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione?
The IUPAC name of 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione (CID 23412155) is 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione.
What is the SMILES notation for 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione?
The canonical SMILES for 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione is S=c1nc(Nc2ccc3ccccc3c2)cn[nH]1.
What is the InChIKey of 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione?
The InChIKey is HGTSFMRYCRLSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c18-13-16-12(8-14-17-13)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,15,16,17,18).
What are the key properties of 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione?
5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione has a molecular weight of 254.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione is sourced from PubChem (CID 23412155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).