1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide

C11H18N4O3 — CID 59892685

IUPAC1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESCOCC1O[C@@H](n2cnc(C(N)=O)n2)[C@H](C)C1C
InChIInChI=1S/C11H18N4O3/c1-6-7(2)11(18-8(6)4-17-3)15-5-13-10(14-15)9(12)16/h5-8,11H,4H2,1-3H3,(H2,12,16)/t6?,7-,8?,11-/m1/s1
InChIKeyYVXFAPPIYBQFOM-DJWVBVHXSA-N
MW254.29 g/mol
LogP0.19
Rot. Bonds4

About 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide

1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 59892685) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID59892685
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESCOCC1O[C@@H](n2cnc(C(N)=O)n2)[C@H](C)C1C
InChIInChI=1S/C11H18N4O3/c1-6-7(2)11(18-8(6)4-17-3)15-5-13-10(14-15)9(12)16/h5-8,11H,4H2,1-3H3,(H2,12,16)/t6?,7-,8?,11-/m1/s1
InChIKeyYVXFAPPIYBQFOM-DJWVBVHXSA-N
XLogP0.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-(acetyloxymethyl)-2-[[[2-(acetyloxymethyl)-3-ethoxy-2-ethoxycarbonyl-3-oxopropoxy]-[[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dimethyloxolan-2-yl]methoxy]phosphoryl]oxymethyl]propanedioate
CID 59492128
1-[6-(hydroxymethyl)-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
CID 20818638
1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide
CID 142117333
[(2S,3R,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 98261455
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
copper;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 174517530
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
CID 161460881
1-[3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
CID 123424834
[(2R,3S,4R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
CID 162481972
dilithium;[5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
CID 57369811
[(2R,3S,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 134940370
1-[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
CID 131700644

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 59892685) is 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide is COCC1O[C@@H](n2cnc(C(N)=O)n2)[C@H](C)C1C.
What is the InChIKey of 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is YVXFAPPIYBQFOM-DJWVBVHXSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6-7(2)11(18-8(6)4-17-3)15-5-13-10(14-15)9(12)16/h5-8,11H,4H2,1-3H3,(H2,12,16)/t6?,7-,8?,11-/m1/s1.
What are the key properties of 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide?
1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59892685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).