3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide

C12H25N7O — CID 91132521

IUPAC3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC.CC.CC(=O)Nc1ncn[nH]1.Cc1n[nH]c(C)n1
InChIInChI=1S/C4H6N4O.C4H7N3.2C2H6/c1-3(9)7-4-5-2-6-8-4;1-3-5-4(2)7-6-3;2*1-2/h2H,1H3,(H2,5,6,7,8,9);1-2H3,(H,5,6,7);2*1-2H3
InChIKeyPTETXVABVOAEPJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.24
Rot. Bonds1

About 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide

3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 91132521) has the molecular formula C12H25N7O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID91132521
Molecular FormulaC12H25N7O
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC.CC.CC(=O)Nc1ncn[nH]1.Cc1n[nH]c(C)n1
InChIInChI=1S/C4H6N4O.C4H7N3.2C2H6/c1-3(9)7-4-5-2-6-8-4;1-3-5-4(2)7-6-3;2*1-2/h2H,1H3,(H2,5,6,7,8,9);1-2H3,(H,5,6,7);2*1-2H3
InChIKeyPTETXVABVOAEPJ-UHFFFAOYSA-N
XLogP2.24
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide (CID 91132521) is 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide is CC.CC.CC(=O)Nc1ncn[nH]1.Cc1n[nH]c(C)n1.
What is the InChIKey of 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PTETXVABVOAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C4H7N3.2C2H6/c1-3(9)7-4-5-2-6-8-4;1-3-5-4(2)7-6-3;2*1-2/h2H,1H3,(H2,5,6,7,8,9);1-2H3,(H,5,6,7);2*1-2H3.
What are the key properties of 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide?
3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-1,2,4-triazole;ethane;N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 91132521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).