2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C8H10N6O3 — CID 62399978

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CO)nn2)o1
InChIInChI=1S/C8H10N6O3/c1-5-10-12-8(17-5)9-7(16)3-14-2-6(4-15)11-13-14/h2,15H,3-4H2,1H3,(H,9,12,16)
InChIKeyNICYSSRGHMPIJX-UHFFFAOYSA-N
MW238.21 g/mol
LogP-0.90
Rot. Bonds4

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 62399978) has the molecular formula C8H10N6O3 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID62399978
Molecular FormulaC8H10N6O3
Molecular Weight238.21 g/mol
Exact Mass238.08
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CO)nn2)o1
InChIInChI=1S/C8H10N6O3/c1-5-10-12-8(17-5)9-7(16)3-14-2-6(4-15)11-13-14/h2,15H,3-4H2,1H3,(H,9,12,16)
InChIKeyNICYSSRGHMPIJX-UHFFFAOYSA-N
XLogP-0.90
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 62399978) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2cc(CO)nn2)o1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is NICYSSRGHMPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O3/c1-5-10-12-8(17-5)9-7(16)3-14-2-6(4-15)11-13-14/h2,15H,3-4H2,1H3,(H,9,12,16).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 238.21 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 62399978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).