N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

C12H13BrN4O2 — CID 82858724

IUPACN-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ccc(Br)c(OC)c2)n[nH]1
InChIInChI=1S/C12H13BrN4O2/c1-3-10-15-11(17-16-10)12(18)14-7-4-5-8(13)9(6-7)19-2/h4-6H,3H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDQTXEVCZTANICT-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.39
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 82858724) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID82858724
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC NameN-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ccc(Br)c(OC)c2)n[nH]1
InChIInChI=1S/C12H13BrN4O2/c1-3-10-15-11(17-16-10)12(18)14-7-4-5-8(13)9(6-7)19-2/h4-6H,3H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDQTXEVCZTANICT-UHFFFAOYSA-N
XLogP2.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82861102
4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208712
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
N-(3-bromo-2-methylphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 107629541
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
CID 79421839
5-tert-butyl-N-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 114840576
5-tert-butyl-N-(4-chloro-3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 107622808
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 82858724) is N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2ccc(Br)c(OC)c2)n[nH]1.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is DQTXEVCZTANICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-3-10-15-11(17-16-10)12(18)14-7-4-5-8(13)9(6-7)19-2/h4-6H,3H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 82858724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).