methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

C10H14N4O3 — CID 103107694

IUPACmethyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C(C)C(=O)NC2CC2)nn1
InChIInChI=1S/C10H14N4O3/c1-6(9(15)11-7-3-4-7)14-5-8(12-13-14)10(16)17-2/h5-7H,3-4H2,1-2H3,(H,11,15)
InChIKeyVXDBNHOYLVTRJO-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.10
Rot. Bonds4

About methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate (PubChem CID 103107694) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate
PubChem CID103107694
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C(C)C(=O)NC2CC2)nn1
InChIInChI=1S/C10H14N4O3/c1-6(9(15)11-7-3-4-7)14-5-8(12-13-14)10(16)17-2/h5-7H,3-4H2,1-2H3,(H,11,15)
InChIKeyVXDBNHOYLVTRJO-UHFFFAOYSA-N
XLogP-0.10
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]propanamide
CID 55092258
N-cyclopropyl-2-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444580
methyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]triazole-4-carboxylate
CID 103107543
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]triazole-4-carboxylate
CID 124562710
methyl 1-(3-hydroxybutan-2-yl)triazole-4-carboxylate
CID 103108025
methyl 1-(1-methoxypropan-2-yl)triazole-4-carboxylate
CID 103108011
N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
CID 62401094
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194152
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
methyl 1-[(2S)-1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfonylamino]-1-oxopropan-2-yl]triazole-4-carboxylate;sulfane
CID 167590487
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
1-[1-(tert-butylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 62060904

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate (CID 103107694) is methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate is COC(=O)c1cn(C(C)C(=O)NC2CC2)nn1.
What is the InChIKey of methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate?
The InChIKey is VXDBNHOYLVTRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6(9(15)11-7-3-4-7)14-5-8(12-13-14)10(16)17-2/h5-7H,3-4H2,1-2H3,(H,11,15).
What are the key properties of methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate?
methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate is sourced from PubChem (CID 103107694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).