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

C13H10N4O2 — CID 828588

IUPAC[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone
SMILESNc1nc(-c2ccco2)nn1C(=O)c1ccccc1
InChIInChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16)
InChIKeyIGCDDPNPYAFVCA-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.81
Rot. Bonds2

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

[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone (PubChem CID 828588) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone
PubChem CID828588
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone
SMILESNc1nc(-c2ccco2)nn1C(=O)c1ccccc1
InChIInChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16)
InChIKeyIGCDDPNPYAFVCA-UHFFFAOYSA-N
XLogP1.81
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
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
7-amino-2-(furan-2-yl)-5-oxo-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
CID 168276173
1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 828537

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
The IUPAC name of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone (CID 828588) is [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone is Nc1nc(-c2ccco2)nn1C(=O)c1ccccc1.
What is the InChIKey of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
The InChIKey is IGCDDPNPYAFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16).
What are the key properties of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone has a molecular weight of 254.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone is sourced from PubChem (CID 828588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).