2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C9H14N8S — CID 32802042

IUPAC2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(-n2cnc(SC)n2)n1
InChIInChI=1S/C9H14N8S/c1-10-6-12-7(16(2)3)14-8(13-6)17-5-11-9(15-17)18-4/h5H,1-4H3,(H,10,12,13,14)
InChIKeyPJBIBVXMEWAISY-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.28
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 32802042) has the molecular formula C9H14N8S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID32802042
Molecular FormulaC9H14N8S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(-n2cnc(SC)n2)n1
InChIInChI=1S/C9H14N8S/c1-10-6-12-7(16(2)3)14-8(13-6)17-5-11-9(15-17)18-4/h5H,1-4H3,(H,10,12,13,14)
InChIKeyPJBIBVXMEWAISY-UHFFFAOYSA-N
XLogP0.28
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 32802042) is 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C)nc(-n2cnc(SC)n2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PJBIBVXMEWAISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8S/c1-10-6-12-7(16(2)3)14-8(13-6)17-5-11-9(15-17)18-4/h5H,1-4H3,(H,10,12,13,14).
What are the key properties of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 266.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 32802042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).