N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine

C7H12N4S — CID 83828779

IUPACN-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine
SMILESCNCc1nnc(SC)nc1C
InChIInChI=1S/C7H12N4S/c1-5-6(4-8-2)10-11-7(9-5)12-3/h8H,4H2,1-3H3
InChIKeyKFQANPXJWDZHMS-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.62
Rot. Bonds3

About N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine

N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine (PubChem CID 83828779) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine
PubChem CID83828779
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC NameN-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine
SMILESCNCc1nnc(SC)nc1C
InChIInChI=1S/C7H12N4S/c1-5-6(4-8-2)10-11-7(9-5)12-3/h8H,4H2,1-3H3
InChIKeyKFQANPXJWDZHMS-UHFFFAOYSA-N
XLogP0.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine (CID 83828779) is N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine is CNCc1nnc(SC)nc1C.
What is the InChIKey of N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine?
The InChIKey is KFQANPXJWDZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-6(4-8-2)10-11-7(9-5)12-3/h8H,4H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine?
N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine has a molecular weight of 184.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)methanamine is sourced from PubChem (CID 83828779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).