propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate

C15H20N4O3 — CID 82199508

IUPACpropan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate
SMILESCCCOc1ccccc1-n1nnc(C(=O)OC(C)C)c1N
InChIInChI=1S/C15H20N4O3/c1-4-9-21-12-8-6-5-7-11(12)19-14(16)13(17-18-19)15(20)22-10(2)3/h5-8,10H,4,9,16H2,1-3H3
InChIKeyBHRRIHMBPNAYJT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.20
Rot. Bonds6

About propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate

propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate (PubChem CID 82199508) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate
PubChem CID82199508
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namepropan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate
SMILESCCCOc1ccccc1-n1nnc(C(=O)OC(C)C)c1N
InChIInChI=1S/C15H20N4O3/c1-4-9-21-12-8-6-5-7-11(12)19-14(16)13(17-18-19)15(20)22-10(2)3/h5-8,10H,4,9,16H2,1-3H3
InChIKeyBHRRIHMBPNAYJT-UHFFFAOYSA-N
XLogP2.20
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
propan-2-yl 5-amino-1-(4-phenoxybutyl)triazole-4-carboxylate
CID 94945266
3-(5-amino-4-propan-2-yloxycarbonyltriazol-1-yl)benzoic acid
CID 82197379
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
propan-2-yl 5-amino-1-(2-methyl-5-nitrophenyl)triazole-4-carboxylate
CID 82197748
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
propan-2-yl 5-amino-1-(1-oxo-1-propan-2-yloxybutan-2-yl)triazole-4-carboxylate
CID 82202921
propan-2-yl 5-amino-1-[2-(3-methylphenoxy)ethyl]triazole-4-carboxylate
CID 82209134
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366637

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate?
The IUPAC name of propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate (CID 82199508) is propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate?
The canonical SMILES for propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate is CCCOc1ccccc1-n1nnc(C(=O)OC(C)C)c1N.
What is the InChIKey of propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate?
The InChIKey is BHRRIHMBPNAYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-9-21-12-8-6-5-7-11(12)19-14(16)13(17-18-19)15(20)22-10(2)3/h5-8,10H,4,9,16H2,1-3H3.
What are the key properties of propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate?
propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate is sourced from PubChem (CID 82199508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).