3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide

C11H20N4O — CID 63822003

IUPAC3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCC(CC(=O)NCc1ncn[nH]1)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-8(11(2,3)4)5-10(16)12-6-9-13-7-14-15-9/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,14,15)
InChIKeyVWFFHGAMOITATE-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.49
Rot. Bonds4

About 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide

3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (PubChem CID 63822003) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
PubChem CID63822003
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCC(CC(=O)NCc1ncn[nH]1)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-8(11(2,3)4)5-10(16)12-6-9-13-7-14-15-9/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,14,15)
InChIKeyVWFFHGAMOITATE-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155320
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177
(2R)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)butanoic acid
CID 113353242
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide
CID 79531018
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 104903173
2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 77046191
ethyl 4-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)butanoate
CID 60982678
4-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 64525497
2-(4-fluorophenyl)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 56787077

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (CID 63822003) is 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is CC(CC(=O)NCc1ncn[nH]1)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The InChIKey is VWFFHGAMOITATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(11(2,3)4)5-10(16)12-6-9-13-7-14-15-9/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,14,15).
What are the key properties of 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 63822003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).