2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide

C19H21N5O5 — CID 71218480

IUPAC2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2cnnn2-c2cc(O)c(OC)c(OC)c2)cc1NC(=O)CN
InChIInChI=1S/C19H21N5O5/c1-27-16-5-4-11(6-13(16)22-18(26)9-20)14-10-21-23-24(14)12-7-15(25)19(29-3)17(8-12)28-2/h4-8,10,25H,9,20H2,1-3H3,(H,22,26)
InChIKeyUNFNJSSZKIKZIT-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.56
Rot. Bonds7

About 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide

2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide (PubChem CID 71218480) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide
PubChem CID71218480
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2cnnn2-c2cc(O)c(OC)c(OC)c2)cc1NC(=O)CN
InChIInChI=1S/C19H21N5O5/c1-27-16-5-4-11(6-13(16)22-18(26)9-20)14-10-21-23-24(14)12-7-15(25)19(29-3)17(8-12)28-2/h4-8,10,25H,9,20H2,1-3H3,(H,22,26)
InChIKeyUNFNJSSZKIKZIT-UHFFFAOYSA-N
XLogP1.56
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
CID 59430003
4-[[2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 59430164
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]propanamide
CID 25030486
[3-(4-hydroxyphenyl)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 87103521
[3-(1H-inden-2-yl)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58066511
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] hydrogen sulfate
CID 59430038
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007607
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] sulfate
CID 59430037
5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 88580137
ethyl [2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] hydrogen phosphate
CID 58987633
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343
2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol
CID 102035292

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide?
The IUPAC name of 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide (CID 71218480) is 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide is COc1ccc(-c2cnnn2-c2cc(O)c(OC)c(OC)c2)cc1NC(=O)CN.
What is the InChIKey of 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide?
The InChIKey is UNFNJSSZKIKZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c1-27-16-5-4-11(6-13(16)22-18(26)9-20)14-10-21-23-24(14)12-7-15(25)19(29-3)17(8-12)28-2/h4-8,10,25H,9,20H2,1-3H3,(H,22,26).
What are the key properties of 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide?
2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide has a molecular weight of 399.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 71218480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).