2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C13H17N5O2 — CID 112529631

IUPAC2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cn2ncc(N)n2)c1
InChIInChI=1S/C13H17N5O2/c1-20-11-4-2-3-10(7-11)5-6-15-13(19)9-18-16-8-12(14)17-18/h2-4,7-8H,5-6,9H2,1H3,(H2,14,17)(H,15,19)
InChIKeyLJZDHCVZLRIQQD-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.23
Rot. Bonds6

About 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 112529631) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID112529631
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cn2ncc(N)n2)c1
InChIInChI=1S/C13H17N5O2/c1-20-11-4-2-3-10(7-11)5-6-15-13(19)9-18-16-8-12(14)17-18/h2-4,7-8H,5-6,9H2,1H3,(H2,14,17)(H,15,19)
InChIKeyLJZDHCVZLRIQQD-UHFFFAOYSA-N
XLogP0.23
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121051159
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 112529631) is 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)Cn2ncc(N)n2)c1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is LJZDHCVZLRIQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-20-11-4-2-3-10(7-11)5-6-15-13(19)9-18-16-8-12(14)17-18/h2-4,7-8H,5-6,9H2,1H3,(H2,14,17)(H,15,19).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 112529631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).