2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide

C12H15N5O2 — CID 81083065

IUPAC2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C12H15N5O2/c1-19-8-9(13)12(18)15-10-4-2-3-5-11(10)17-7-6-14-16-17/h2-7,9H,8,13H2,1H3,(H,15,18)
InChIKeyFYHPRNAGYXZJFH-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.18
Rot. Bonds5

About 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide

2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide (PubChem CID 81083065) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
PubChem CID81083065
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C12H15N5O2/c1-19-8-9(13)12(18)15-10-4-2-3-5-11(10)17-7-6-14-16-17/h2-7,9H,8,13H2,1H3,(H,15,18)
InChIKeyFYHPRNAGYXZJFH-UHFFFAOYSA-N
XLogP0.18
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide
CID 75484568
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide (CID 81083065) is 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide is COCC(N)C(=O)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide?
The InChIKey is FYHPRNAGYXZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-8-9(13)12(18)15-10-4-2-3-5-11(10)17-7-6-14-16-17/h2-7,9H,8,13H2,1H3,(H,15,18).
What are the key properties of 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide?
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide has a molecular weight of 261.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 81083065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).