4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride

C13H18ClN5O2 — CID 120589330

IUPAC4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(-n2nccn2)cc1.Cl
InChIInChI=1S/C13H17N5O2.ClH/c1-20-12(9-14)8-13(19)17-10-2-4-11(5-3-10)18-15-6-7-16-18;/h2-7,12H,8-9,14H2,1H3,(H,17,19);1H
InChIKeyVSSALNVZXKWGNO-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.99
Rot. Bonds6

About 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride (PubChem CID 120589330) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
PubChem CID120589330
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(-n2nccn2)cc1.Cl
InChIInChI=1S/C13H17N5O2.ClH/c1-20-12(9-14)8-13(19)17-10-2-4-11(5-3-10)18-15-6-7-16-18;/h2-7,12H,8-9,14H2,1H3,(H,17,19);1H
InChIKeyVSSALNVZXKWGNO-UHFFFAOYSA-N
XLogP0.99
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120595053
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
4-oxo-2-phenyl-4-[4-(triazol-2-yl)anilino]butanoic acid
CID 166288333

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride (CID 120589330) is 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(-n2nccn2)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride?
The InChIKey is VSSALNVZXKWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2.ClH/c1-20-12(9-14)8-13(19)17-10-2-4-11(5-3-10)18-15-6-7-16-18;/h2-7,12H,8-9,14H2,1H3,(H,17,19);1H.
What are the key properties of 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120589330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).