N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide

C13H17N5O3 — CID 103722946

IUPACN-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
SMILESCC(NC(=O)CCCNC(=O)c1ccco1)c1ncn[nH]1
InChIInChI=1S/C13H17N5O3/c1-9(12-15-8-16-18-12)17-11(19)5-2-6-14-13(20)10-4-3-7-21-10/h3-4,7-9H,2,5-6H2,1H3,(H,14,20)(H,17,19)(H,15,16,18)
InChIKeyGOVQCLCGQOXGKS-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.79
Rot. Bonds7

About N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide

N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide (PubChem CID 103722946) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
PubChem CID103722946
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
SMILESCC(NC(=O)CCCNC(=O)c1ccco1)c1ncn[nH]1
InChIInChI=1S/C13H17N5O3/c1-9(12-15-8-16-18-12)17-11(19)5-2-6-14-13(20)10-4-3-7-21-10/h3-4,7-9H,2,5-6H2,1H3,(H,14,20)(H,17,19)(H,15,16,18)
InChIKeyGOVQCLCGQOXGKS-UHFFFAOYSA-N
XLogP0.79
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide 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

N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51207731
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide (CID 103722946) is N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide is CC(NC(=O)CCCNC(=O)c1ccco1)c1ncn[nH]1.
What is the InChIKey of N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide?
The InChIKey is GOVQCLCGQOXGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9(12-15-8-16-18-12)17-11(19)5-2-6-14-13(20)10-4-3-7-21-10/h3-4,7-9H,2,5-6H2,1H3,(H,14,20)(H,17,19)(H,15,16,18).
What are the key properties of N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide?
N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide is sourced from PubChem (CID 103722946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).