6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine

C13H12N6S — CID 87371545

IUPAC6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine
SMILESCc1csc(Nc2nnc(N)nc2-c2ccccc2)n1
InChIInChI=1S/C13H12N6S/c1-8-7-20-13(15-8)17-11-10(16-12(14)19-18-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,16,19)(H,15,17,18)
InChIKeyHKUXCZJOGNAUSQ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.63
Rot. Bonds3

About 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine

6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine (PubChem CID 87371545) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine.

Molecular Properties

Compound Name6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine
PubChem CID87371545
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine
SMILESCc1csc(Nc2nnc(N)nc2-c2ccccc2)n1
InChIInChI=1S/C13H12N6S/c1-8-7-20-13(15-8)17-11-10(16-12(14)19-18-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,16,19)(H,15,17,18)
InChIKeyHKUXCZJOGNAUSQ-UHFFFAOYSA-N
XLogP2.63
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine?
The IUPAC name of 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine (CID 87371545) is 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine.
What is the SMILES notation for 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine?
The canonical SMILES for 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine is Cc1csc(Nc2nnc(N)nc2-c2ccccc2)n1.
What is the InChIKey of 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine?
The InChIKey is HKUXCZJOGNAUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-8-7-20-13(15-8)17-11-10(16-12(14)19-18-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,16,19)(H,15,17,18).
What are the key properties of 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine?
6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine has a molecular weight of 284.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-methyl-1,3-thiazol-2-yl)-5-phenyl-1,2,4-triazine-3,6-diamine is sourced from PubChem (CID 87371545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).