1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one

C15H14N4O2 — CID 757197

IUPAC1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
SMILESNc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1
InChIInChI=1S/C15H14N4O2/c16-15-17-14(12-7-4-10-21-12)18-19(15)13(20)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,16,17,18)
InChIKeyWGXHRMPAGZUAKK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.39
Rot. Bonds4

About 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one

1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one (PubChem CID 757197) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
PubChem CID757197
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
SMILESNc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1
InChIInChI=1S/C15H14N4O2/c16-15-17-14(12-7-4-10-21-12)18-19(15)13(20)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,16,17,18)
InChIKeyWGXHRMPAGZUAKK-UHFFFAOYSA-N
XLogP2.39
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-(7-Amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol
CID 176407
(1,2,4)Triazolo(1,5-a)triazin-7-amine, 2-(2-furanyl)-5-phenoxy-
CID 3071852
[3-(Furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
CID 977140
1-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)-7-phenylheptan-1-one
CID 24951002
3-(2-furyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 746040
1-benzyl-5-(2-furyl)-1H-tetrazole
CID 763759
1-(ethylsulfonyl)-N-(2-furylmethyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 970919
N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
(2-Chlorophenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone
CID 3586642
1-[5-Benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
CID 3586645
4-[2-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-2-tritiophenol
CID 53316647
6-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]-N-hydroxyhexanamide
CID 166629234

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one (CID 757197) is 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one is Nc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one?
The InChIKey is WGXHRMPAGZUAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-15-17-14(12-7-4-10-21-12)18-19(15)13(20)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,16,17,18).
What are the key properties of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one?
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one has a molecular weight of 282.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 757197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).