N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide

C12H20N4O3 — CID 91770644

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCCn1cncn1
InChIInChI=1S/C12H20N4O3/c1-18-11-7-19-6-4-10(11)15-12(17)3-2-5-16-9-13-8-14-16/h8-11H,2-7H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyRVWNYRWGRSPBOT-GHMZBOCLSA-N
MW268.32 g/mol
LogP-0.02
Rot. Bonds6

About N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 91770644) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID91770644
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCCn1cncn1
InChIInChI=1S/C12H20N4O3/c1-18-11-7-19-6-4-10(11)15-12(17)3-2-5-16-9-13-8-14-16/h8-11H,2-7H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyRVWNYRWGRSPBOT-GHMZBOCLSA-N
XLogP-0.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S,4R)-4-[3-(1,2,4-triazol-1-yl)propanoylamino]oxan-3-yl]oxybenzamide
CID 91781430
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 135119880
N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
CID 95877128
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 92596564
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-[(3aR,5S,6S,7aS)-6-(cyclopropylmethoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 172664452
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
CID 91797838

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 91770644) is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide is CO[C@@H]1COCC[C@H]1NC(=O)CCCn1cncn1.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is RVWNYRWGRSPBOT-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-11-7-19-6-4-10(11)15-12(17)3-2-5-16-9-13-8-14-16/h8-11H,2-7H2,1H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 268.32 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 91770644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).