2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide

C10H18N4O — CID 58204568

IUPAC2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)c1nc(CC(N)=O)nn1C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)10-12-9(5-8(11)15)13-14(10)7(3)4/h6-7H,5H2,1-4H3,(H2,11,15)
InChIKeyHAIQGVPJOBYXNU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.01
Rot. Bonds4

About 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide

2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 58204568) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID58204568
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)c1nc(CC(N)=O)nn1C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)10-12-9(5-8(11)15)13-14(10)7(3)4/h6-7H,5H2,1-4H3,(H2,11,15)
InChIKeyHAIQGVPJOBYXNU-UHFFFAOYSA-N
XLogP1.01
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide (CID 58204568) is 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide is CC(C)c1nc(CC(N)=O)nn1C(C)C.
What is the InChIKey of 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HAIQGVPJOBYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)10-12-9(5-8(11)15)13-14(10)7(3)4/h6-7H,5H2,1-4H3,(H2,11,15).
What are the key properties of 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 210.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 58204568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).