3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C10H12N4O2 — CID 60982425

IUPAC3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCc1ccco1)NCc1ncn[nH]1
InChIInChI=1S/C10H12N4O2/c15-10(4-3-8-2-1-5-16-8)11-6-9-12-7-13-14-9/h1-2,5,7H,3-4,6H2,(H,11,15)(H,12,13,14)
InChIKeyKNECYSPRPONBND-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.65
Rot. Bonds5

About 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 60982425) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID60982425
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCc1ccco1)NCc1ncn[nH]1
InChIInChI=1S/C10H12N4O2/c15-10(4-3-8-2-1-5-16-8)11-6-9-12-7-13-14-9/h1-2,5,7H,3-4,6H2,(H,11,15)(H,12,13,14)
InChIKeyKNECYSPRPONBND-UHFFFAOYSA-N
XLogP0.65
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide 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

3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60982798
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
CID 55156972
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
CID 42244968
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982939
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 60982425) is 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCc1ccco1)NCc1ncn[nH]1.
What is the InChIKey of 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is KNECYSPRPONBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10(4-3-8-2-1-5-16-8)11-6-9-12-7-13-14-9/h1-2,5,7H,3-4,6H2,(H,11,15)(H,12,13,14).
What are the key properties of 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 220.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 60982425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).