5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid

C12H15N5O4 — CID 80684896

IUPAC5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid
SMILESCn1cnc(CCNC(=O)NCc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C12H15N5O4/c1-17-7-15-10(16-17)4-5-13-12(20)14-6-8-2-3-9(21-8)11(18)19/h2-3,7H,4-6H2,1H3,(H,18,19)(H2,13,14,20)
InChIKeyDGMJSDZLTQEABN-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.15
Rot. Bonds6

About 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid

5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid (PubChem CID 80684896) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid
PubChem CID80684896
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid
SMILESCn1cnc(CCNC(=O)NCc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C12H15N5O4/c1-17-7-15-10(16-17)4-5-13-12(20)14-6-8-2-3-9(21-8)11(18)19/h2-3,7H,4-6H2,1H3,(H,18,19)(H2,13,14,20)
InChIKeyDGMJSDZLTQEABN-UHFFFAOYSA-N
XLogP0.15
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid 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

5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 115991264
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]hexanoic acid
CID 80688771
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]acetamide
CID 80689665
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888
3-hydroxy-3-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 80689723
4-methyl-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 82012877
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
3-chloro-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682330
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570161
5-[(2-prop-2-enylsulfanylethylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 114187955

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid (CID 80684896) is 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid is Cn1cnc(CCNC(=O)NCc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid?
The InChIKey is DGMJSDZLTQEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-17-7-15-10(16-17)4-5-13-12(20)14-6-8-2-3-9(21-8)11(18)19/h2-3,7H,4-6H2,1H3,(H,18,19)(H2,13,14,20).
What are the key properties of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid?
5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 80684896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).