[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate

C7H12N4O2 — CID 175358391

IUPAC[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate
SMILESCNC(=O)O[C@H](C)Cn1ccnn1
InChIInChI=1S/C7H12N4O2/c1-6(13-7(12)8-2)5-11-4-3-9-10-11/h3-4,6H,5H2,1-2H3,(H,8,12)/t6-/m1/s1
InChIKeyFJLNVBNQRJYDIA-ZCFIWIBFSA-N
MW184.20 g/mol
LogP0.02
Rot. Bonds3

About [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate

[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate (PubChem CID 175358391) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate
PubChem CID175358391
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate
SMILESCNC(=O)O[C@H](C)Cn1ccnn1
InChIInChI=1S/C7H12N4O2/c1-6(13-7(12)8-2)5-11-4-3-9-10-11/h3-4,6H,5H2,1-2H3,(H,8,12)/t6-/m1/s1
InChIKeyFJLNVBNQRJYDIA-ZCFIWIBFSA-N
XLogP0.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate?
The IUPAC name of [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate (CID 175358391) is [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate.
What is the SMILES notation for [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate?
The canonical SMILES for [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate is CNC(=O)O[C@H](C)Cn1ccnn1.
What is the InChIKey of [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate?
The InChIKey is FJLNVBNQRJYDIA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-6(13-7(12)8-2)5-11-4-3-9-10-11/h3-4,6H,5H2,1-2H3,(H,8,12)/t6-/m1/s1.
What are the key properties of [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate?
[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate has a molecular weight of 184.20 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate is sourced from PubChem (CID 175358391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).