benzyl N-[2-(triazol-1-yl)ethyl]carbamate

C12H14N4O2 — CID 130166648

IUPACbenzyl N-[2-(triazol-1-yl)ethyl]carbamate
SMILESO=C(NCCn1ccnn1)OCc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-12(13-6-8-16-9-7-14-15-16)18-10-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,13,17)
InChIKeyMBCBEVFDUUVZKB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.20
Rot. Bonds5

About benzyl N-[2-(triazol-1-yl)ethyl]carbamate

benzyl N-[2-(triazol-1-yl)ethyl]carbamate (PubChem CID 130166648) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is benzyl N-[2-(triazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(triazol-1-yl)ethyl]carbamate
PubChem CID130166648
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namebenzyl N-[2-(triazol-1-yl)ethyl]carbamate
SMILESO=C(NCCn1ccnn1)OCc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-12(13-6-8-16-9-7-14-15-16)18-10-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,13,17)
InChIKeyMBCBEVFDUUVZKB-UHFFFAOYSA-N
XLogP1.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 121208843
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benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
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benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate
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benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethyliminomethylideneamino]ethyl]carbamate
CID 59367017
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(triazol-1-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(triazol-1-yl)ethyl]carbamate (CID 130166648) is benzyl N-[2-(triazol-1-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(triazol-1-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(triazol-1-yl)ethyl]carbamate is O=C(NCCn1ccnn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(triazol-1-yl)ethyl]carbamate?
The InChIKey is MBCBEVFDUUVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(13-6-8-16-9-7-14-15-16)18-10-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,13,17).
What are the key properties of benzyl N-[2-(triazol-1-yl)ethyl]carbamate?
benzyl N-[2-(triazol-1-yl)ethyl]carbamate has a molecular weight of 246.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(triazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 130166648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).