5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

C16H21N5O2 — CID 7442589

IUPAC5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCCc1ccccc1-n1nnc(C(=O)NC[C@H]2CCCO2)c1N
InChIInChI=1S/C16H21N5O2/c1-2-11-6-3-4-8-13(11)21-15(17)14(19-20-21)16(22)18-10-12-7-5-9-23-12/h3-4,6,8,12H,2,5,7,9-10,17H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyPUINSPMOPLRAPW-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.32
Rot. Bonds5

About 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 7442589) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID7442589
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCCc1ccccc1-n1nnc(C(=O)NC[C@H]2CCCO2)c1N
InChIInChI=1S/C16H21N5O2/c1-2-11-6-3-4-8-13(11)21-15(17)14(19-20-21)16(22)18-10-12-7-5-9-23-12/h3-4,6,8,12H,2,5,7,9-10,17H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyPUINSPMOPLRAPW-GFCCVEGCSA-N
XLogP1.32
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95303432
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27260652
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 7442589) is 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is CCc1ccccc1-n1nnc(C(=O)NC[C@H]2CCCO2)c1N.
What is the InChIKey of 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is PUINSPMOPLRAPW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-11-6-3-4-8-13(11)21-15(17)14(19-20-21)16(22)18-10-12-7-5-9-23-12/h3-4,6,8,12H,2,5,7,9-10,17H2,1H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 7442589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).