2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride

C12H16ClN5O — CID 119293663

IUPAC2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cccc(-c2nncn2C)c1.Cl
InChIInChI=1S/C12H15N5O.ClH/c1-8(13)12(18)15-10-5-3-4-9(6-10)11-16-14-7-17(11)2;/h3-8H,13H2,1-2H3,(H,15,18);1H
InChIKeyFJFYSGMDHHUOIX-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride

2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride (PubChem CID 119293663) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
PubChem CID119293663
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cccc(-c2nncn2C)c1.Cl
InChIInChI=1S/C12H15N5O.ClH/c1-8(13)12(18)15-10-5-3-4-9(6-10)11-16-14-7-17(11)2;/h3-8H,13H2,1-2H3,(H,15,18);1H
InChIKeyFJFYSGMDHHUOIX-UHFFFAOYSA-N
XLogP1.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
N-[(2R)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95146686
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-ynamide
CID 122137616
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride (CID 119293663) is 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride is CC(N)C(=O)Nc1cccc(-c2nncn2C)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
The InChIKey is FJFYSGMDHHUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.ClH/c1-8(13)12(18)15-10-5-3-4-9(6-10)11-16-14-7-17(11)2;/h3-8H,13H2,1-2H3,(H,15,18);1H.
What are the key properties of 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride has a molecular weight of 281.75 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119293663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).