3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide

C13H17N5O2 — CID 107873570

IUPAC3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
SMILESCCCn1ncnc1COc1c(N)cccc1C(N)=O
InChIInChI=1S/C13H17N5O2/c1-2-6-18-11(16-8-17-18)7-20-12-9(13(15)19)4-3-5-10(12)14/h3-5,8H,2,6-7,14H2,1H3,(H2,15,19)
InChIKeyWBPGGTXGKFUTME-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.95
Rot. Bonds6

About 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide

3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide (PubChem CID 107873570) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
PubChem CID107873570
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
SMILESCCCn1ncnc1COc1c(N)cccc1C(N)=O
InChIInChI=1S/C13H17N5O2/c1-2-6-18-11(16-8-17-18)7-20-12-9(13(15)19)4-3-5-10(12)14/h3-5,8H,2,6-7,14H2,1H3,(H2,15,19)
InChIKeyWBPGGTXGKFUTME-UHFFFAOYSA-N
XLogP0.95
TPSA109.05 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 81499921
1-[3-amino-5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 116541331
2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol
CID 114764440
3-amino-2-nonoxybenzamide
CID 107873437
3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide
CID 107873569
methyl 4-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 106955064
3-chloro-2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 112611929
5-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-1-propyl-1,2,4-triazole
CID 112613782
N-[[3-chloro-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952991
3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
CID 107873411
ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
CID 122155317
(2-ethyl-1,2,4-triazol-3-yl)methyl 2-amino-3-chlorobenzoate
CID 115547805

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide?
The IUPAC name of 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide (CID 107873570) is 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide?
The canonical SMILES for 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide is CCCn1ncnc1COc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide?
The InChIKey is WBPGGTXGKFUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-6-18-11(16-8-17-18)7-20-12-9(13(15)19)4-3-5-10(12)14/h3-5,8H,2,6-7,14H2,1H3,(H2,15,19).
What are the key properties of 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide?
3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 107873570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).