N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide

C11H18N4O3 — CID 113435046

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1(CO)CCOCC1)n1cncn1
InChIInChI=1S/C11H18N4O3/c1-9(15-8-12-7-13-15)10(17)14-11(6-16)2-4-18-5-3-11/h7-9,16H,2-6H2,1H3,(H,14,17)
InChIKeyUXHHSSZETCETCN-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.50
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 113435046) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID113435046
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1(CO)CCOCC1)n1cncn1
InChIInChI=1S/C11H18N4O3/c1-9(15-8-12-7-13-15)10(17)14-11(6-16)2-4-18-5-3-11/h7-9,16H,2-6H2,1H3,(H,14,17)
InChIKeyUXHHSSZETCETCN-UHFFFAOYSA-N
XLogP-0.50
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 75504688
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382
N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113400510
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
2-(1,2,4-triazol-1-yl)propanoic acid
CID 16785201
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 94069814

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 113435046) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC1(CO)CCOCC1)n1cncn1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UXHHSSZETCETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-9(15-8-12-7-13-15)10(17)14-11(6-16)2-4-18-5-3-11/h7-9,16H,2-6H2,1H3,(H,14,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 113435046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).