ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate

C15H20N4O3 — CID 142311805

IUPACethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate
SMILESCC.CCc1cn(-c2ccc(C(=O)COC(N)=O)cc2)nn1
InChIInChI=1S/C13H14N4O3.C2H6/c1-2-10-7-17(16-15-10)11-5-3-9(4-6-11)12(18)8-20-13(14)19;1-2/h3-7H,2,8H2,1H3,(H2,14,19);1-2H3
InChIKeySKWSIXSJKKUUJT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.13
Rot. Bonds5

About ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate

ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate (PubChem CID 142311805) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate.

Molecular Properties

Compound Nameethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate
PubChem CID142311805
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate
SMILESCC.CCc1cn(-c2ccc(C(=O)COC(N)=O)cc2)nn1
InChIInChI=1S/C13H14N4O3.C2H6/c1-2-10-7-17(16-15-10)11-5-3-9(4-6-11)12(18)8-20-13(14)19;1-2/h3-7H,2,8H2,1H3,(H2,14,19);1-2H3
InChIKeySKWSIXSJKKUUJT-UHFFFAOYSA-N
XLogP2.13
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-[4-(hydroxymethyl)triazol-1-yl]benzoate
CID 82195646
[2-(4-ethylphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535527
ethyl 4-[4-(cyclohexylmethyl)triazol-1-yl]benzoate
CID 139205006
[1-(4-methylphenyl)triazol-4-yl]methyl 4-bromobenzoate
CID 146036281
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
3-[1-(4-acetylphenyl)triazol-4-yl]propanoic acid
CID 82369393
ethyl 1-(4-methoxycarbonylphenyl)triazole-4-carboxylate
CID 122241318
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946
2-[1-[4-[2-(diethylamino)ethoxy]phenyl]triazol-4-yl]acetic acid
CID 130228631
2-bromo-1-[4-(4-hept-6-enyltriazol-1-yl)phenyl]ethanone
CID 139212573
2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid
CID 130228409
2-[1-(4-butylphenyl)triazol-4-yl]acetic acid
CID 112519149

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate?
The IUPAC name of ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate (CID 142311805) is ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate.
What is the SMILES notation for ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate?
The canonical SMILES for ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate is CC.CCc1cn(-c2ccc(C(=O)COC(N)=O)cc2)nn1.
What is the InChIKey of ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate?
The InChIKey is SKWSIXSJKKUUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3.C2H6/c1-2-10-7-17(16-15-10)11-5-3-9(4-6-11)12(18)8-20-13(14)19;1-2/h3-7H,2,8H2,1H3,(H2,14,19);1-2H3.
What are the key properties of ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate?
ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate is sourced from PubChem (CID 142311805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).