3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

C10H11BrN4O2 — CID 71975369

IUPAC3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCC(C)c1nc(NC(=O)c2occc2Br)n[nH]1
InChIInChI=1S/C10H11BrN4O2/c1-5(2)8-12-10(15-14-8)13-9(16)7-6(11)3-4-17-7/h3-5H,1-2H3,(H2,12,13,14,15,16)
InChIKeyRKSZXSLIUPNEBN-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.54
Rot. Bonds3

About 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 71975369) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID71975369
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCC(C)c1nc(NC(=O)c2occc2Br)n[nH]1
InChIInChI=1S/C10H11BrN4O2/c1-5(2)8-12-10(15-14-8)13-9(16)7-6(11)3-4-17-7/h3-5H,1-2H3,(H2,12,13,14,15,16)
InChIKeyRKSZXSLIUPNEBN-UHFFFAOYSA-N
XLogP2.54
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 71975369) is 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide is CC(C)c1nc(NC(=O)c2occc2Br)n[nH]1.
What is the InChIKey of 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is RKSZXSLIUPNEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-5(2)8-12-10(15-14-8)13-9(16)7-6(11)3-4-17-7/h3-5H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 71975369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).