N-methylsulfanyl-1,3,5-triazine-2-carboxamide

C5H6N4OS — CID 54480967

IUPACN-methylsulfanyl-1,3,5-triazine-2-carboxamide
SMILESCSNC(=O)c1ncncn1
InChIInChI=1S/C5H6N4OS/c1-11-9-5(10)4-7-2-6-3-8-4/h2-3H,1H3,(H,9,10)
InChIKeyXOYZSAPGGVIWOE-UHFFFAOYSA-N
MW170.20 g/mol
LogP-0.12
Rot. Bonds2

About N-methylsulfanyl-1,3,5-triazine-2-carboxamide

N-methylsulfanyl-1,3,5-triazine-2-carboxamide (PubChem CID 54480967) has the molecular formula C5H6N4OS and a molecular weight of 170.20 g/mol. Its IUPAC name is N-methylsulfanyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfanyl-1,3,5-triazine-2-carboxamide
PubChem CID54480967
Molecular FormulaC5H6N4OS
Molecular Weight170.20 g/mol
Exact Mass170.03
IUPAC NameN-methylsulfanyl-1,3,5-triazine-2-carboxamide
SMILESCSNC(=O)c1ncncn1
InChIInChI=1S/C5H6N4OS/c1-11-9-5(10)4-7-2-6-3-8-4/h2-3H,1H3,(H,9,10)
InChIKeyXOYZSAPGGVIWOE-UHFFFAOYSA-N
XLogP-0.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-methylsulfanyl-1,3,5-triazine-2-carboxamide (CID 54480967) is N-methylsulfanyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-methylsulfanyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-methylsulfanyl-1,3,5-triazine-2-carboxamide is CSNC(=O)c1ncncn1.
What is the InChIKey of N-methylsulfanyl-1,3,5-triazine-2-carboxamide?
The InChIKey is XOYZSAPGGVIWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4OS/c1-11-9-5(10)4-7-2-6-3-8-4/h2-3H,1H3,(H,9,10).
What are the key properties of N-methylsulfanyl-1,3,5-triazine-2-carboxamide?
N-methylsulfanyl-1,3,5-triazine-2-carboxamide has a molecular weight of 170.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 54480967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).