N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

C8H14N4O — CID 176738808

IUPACN,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)C)c1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,3)6(13)12(4)7-9-5-10-11-7/h5H,1-4H3,(H,9,10,11)
InChIKeyUSKGCFKNUJIUTG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.81
Rot. Bonds1

About N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 176738808) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID176738808
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)C)c1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,3)6(13)12(4)7-9-5-10-11-7/h5H,1-4H3,(H,9,10,11)
InChIKeyUSKGCFKNUJIUTG-UHFFFAOYSA-N
XLogP0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 176738808) is N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide is CN(C(=O)C(C)(C)C)c1ncn[nH]1.
What is the InChIKey of N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is USKGCFKNUJIUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)6(13)12(4)7-9-5-10-11-7/h5H,1-4H3,(H,9,10,11).
What are the key properties of N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 176738808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).