5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide

C5H7BrN4O2 — CID 82018847

IUPAC5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESCOCn1nc(Br)nc1C(N)=O
InChIInChI=1S/C5H7BrN4O2/c1-12-2-10-4(3(7)11)8-5(6)9-10/h2H2,1H3,(H2,7,11)
InChIKeyBHZOIRIYYCZOEC-UHFFFAOYSA-N
MW235.04 g/mol
LogP-0.26
Rot. Bonds3

About 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide

5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 82018847) has the molecular formula C5H7BrN4O2 and a molecular weight of 235.04 g/mol. Its IUPAC name is 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide
PubChem CID82018847
Molecular FormulaC5H7BrN4O2
Molecular Weight235.04 g/mol
Exact Mass233.98
IUPAC Name5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESCOCn1nc(Br)nc1C(N)=O
InChIInChI=1S/C5H7BrN4O2/c1-12-2-10-4(3(7)11)8-5(6)9-10/h2H2,1H3,(H2,7,11)
InChIKeyBHZOIRIYYCZOEC-UHFFFAOYSA-N
XLogP-0.26
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
CID 44542416
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
2-Methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
CID 177049935
1-Methyl-1H-1,2,4-triazole-5-carboxamide
CID 13568524
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
1-Methyl-1H-1,2,4-triazole-3-carboxamide
CID 20651989
1-(1-Ethoxyethyl)-1,2,4-triazole-3-carboxamide
CID 21498942
1-(Hydroxymethyl)-1,2,4-triazole-3-carboxamide
CID 57049753
1-(Methoxymethyl)-1,2,4-triazole-3-carboxamide
CID 57269370
Ethane;1-methyl-1,2,4-triazole-3-carboxamide
CID 143420931
Ethane;2-methyl-1,2,4-triazole-3-carboxamide
CID 143899588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide (CID 82018847) is 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide is COCn1nc(Br)nc1C(N)=O.
What is the InChIKey of 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BHZOIRIYYCZOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O2/c1-12-2-10-4(3(7)11)8-5(6)9-10/h2H2,1H3,(H2,7,11).
What are the key properties of 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide?
5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 235.04 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methoxymethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 82018847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).