2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide

C10H13N7O3S — CID 112524243

IUPAC2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)cn1
InChIInChI=1S/C10H13N7O3S/c1-7-11-3-8(4-12-7)13-10(18)6-17-5-9(14-16-17)15-21(2,19)20/h3-5,15H,6H2,1-2H3,(H,13,18)
InChIKeyVHSPQZNMGODCBA-UHFFFAOYSA-N
MW311.33 g/mol
LogP-0.61
Rot. Bonds5

About 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide

2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide (PubChem CID 112524243) has the molecular formula C10H13N7O3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
PubChem CID112524243
Molecular FormulaC10H13N7O3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)cn1
InChIInChI=1S/C10H13N7O3S/c1-7-11-3-8(4-12-7)13-10(18)6-17-5-9(14-16-17)15-21(2,19)20/h3-5,15H,6H2,1-2H3,(H,13,18)
InChIKeyVHSPQZNMGODCBA-UHFFFAOYSA-N
XLogP-0.61
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide (CID 112524243) is 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide is Cc1ncc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)cn1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
The InChIKey is VHSPQZNMGODCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3S/c1-7-11-3-8(4-12-7)13-10(18)6-17-5-9(14-16-17)15-21(2,19)20/h3-5,15H,6H2,1-2H3,(H,13,18).
What are the key properties of 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide has a molecular weight of 311.33 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 112524243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).