N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

C11H13BrN4O2 — CID 42959734

IUPACN-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccc(Br)o1)n1cncn1
InChIInChI=1S/C11H13BrN4O2/c1-8(16-7-13-6-14-16)11(17)15(2)5-9-3-4-10(12)18-9/h3-4,6-8H,5H2,1-2H3
InChIKeyLETZHYDLNCJOHB-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.85
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42959734) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42959734
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccc(Br)o1)n1cncn1
InChIInChI=1S/C11H13BrN4O2/c1-8(16-7-13-6-14-16)11(17)15(2)5-9-3-4-10(12)18-9/h3-4,6-8H,5H2,1-2H3
InChIKeyLETZHYDLNCJOHB-UHFFFAOYSA-N
XLogP1.85
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45807961
N-(furan-2-ylmethyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 45811337
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53586960
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 53599565
N-(furan-2-ylmethyl)-N-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53601422
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53605635
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53621122
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802926
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802927
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802933
(5-Ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 56826323
N-[[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]furan-2-yl]methyl]acetamide
CID 72142962

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 42959734) is N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(C)Cc1ccc(Br)o1)n1cncn1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is LETZHYDLNCJOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-8(16-7-13-6-14-16)11(17)15(2)5-9-3-4-10(12)18-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 313.16 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42959734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).