2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide

C12H22N4O — CID 168788084

IUPAC2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide
SMILESCC(C)CC(NC(=O)C(C)(C)C)c1ncn[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)6-9(10-13-7-14-16-10)15-11(17)12(3,4)5/h7-9H,6H2,1-5H3,(H,15,17)(H,13,14,16)
InChIKeyUFGYZEMLHSDGRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.05
Rot. Bonds4

About 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide

2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide (PubChem CID 168788084) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide
PubChem CID168788084
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide
SMILESCC(C)CC(NC(=O)C(C)(C)C)c1ncn[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)6-9(10-13-7-14-16-10)15-11(17)12(3,4)5/h7-9H,6H2,1-5H3,(H,15,17)(H,13,14,16)
InChIKeyUFGYZEMLHSDGRQ-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide (CID 168788084) is 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide is CC(C)CC(NC(=O)C(C)(C)C)c1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide?
The InChIKey is UFGYZEMLHSDGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)6-9(10-13-7-14-16-10)15-11(17)12(3,4)5/h7-9H,6H2,1-5H3,(H,15,17)(H,13,14,16).
What are the key properties of 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide?
2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide has a molecular weight of 238.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide is sourced from PubChem (CID 168788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).