5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide

C14H12BrN5O2 — CID 17015687

IUPAC5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN5O2/c15-9-3-5-10(6-4-9)20-13(16)12(18-19-20)14(21)17-8-11-2-1-7-22-11/h1-7H,8,16H2,(H,17,21)
InChIKeyWJMQTSMBJPOXOG-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.13
Rot. Bonds4

About 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide

5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 17015687) has the molecular formula C14H12BrN5O2 and a molecular weight of 362.19 g/mol. Its IUPAC name is 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
PubChem CID17015687
Molecular FormulaC14H12BrN5O2
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC Name5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN5O2/c15-9-3-5-10(6-4-9)20-13(16)12(18-19-20)14(21)17-8-11-2-1-7-22-11/h1-7H,8,16H2,(H,17,21)
InChIKeyWJMQTSMBJPOXOG-UHFFFAOYSA-N
XLogP2.13
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
CID 3245543
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069
3-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 17047526
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
CID 82571771
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide (CID 17015687) is 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide is Nc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Br)cc1.
What is the InChIKey of 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is WJMQTSMBJPOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2/c15-9-3-5-10(6-4-9)20-13(16)12(18-19-20)14(21)17-8-11-2-1-7-22-11/h1-7H,8,16H2,(H,17,21).
What are the key properties of 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 362.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-bromophenyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 17015687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).