[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate

C6H10N4O2 — CID 146380271

IUPAC[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate
SMILESC[C@@H](Cn1ccnn1)OC(N)=O
InChIInChI=1S/C6H10N4O2/c1-5(12-6(7)11)4-10-3-2-8-9-10/h2-3,5H,4H2,1H3,(H2,7,11)/t5-/m0/s1
InChIKeyXUUMMKJMZCDTBL-YFKPBYRVSA-N
MW170.17 g/mol
LogP-0.24
Rot. Bonds3

About [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate

[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate (PubChem CID 146380271) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate
PubChem CID146380271
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate
SMILESC[C@@H](Cn1ccnn1)OC(N)=O
InChIInChI=1S/C6H10N4O2/c1-5(12-6(7)11)4-10-3-2-8-9-10/h2-3,5H,4H2,1H3,(H2,7,11)/t5-/m0/s1
InChIKeyXUUMMKJMZCDTBL-YFKPBYRVSA-N
XLogP-0.24
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate?
The IUPAC name of [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate (CID 146380271) is [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate is C[C@@H](Cn1ccnn1)OC(N)=O.
What is the InChIKey of [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate?
The InChIKey is XUUMMKJMZCDTBL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-5(12-6(7)11)4-10-3-2-8-9-10/h2-3,5H,4H2,1H3,(H2,7,11)/t5-/m0/s1.
What are the key properties of [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate?
[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate has a molecular weight of 170.17 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(triazol-1-yl)propan-2-yl] carbamate is sourced from PubChem (CID 146380271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).