2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid

C10H14N8O3 — CID 115458673

IUPAC2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
SMILESCn1cnnc1CNC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C10H14N8O3/c1-17-6-13-15-8(17)3-12-10(21)11-2-7-4-18(16-14-7)5-9(19)20/h4,6H,2-3,5H2,1H3,(H,19,20)(H2,11,12,21)
InChIKeyUWNWDYKUGJVEJT-UHFFFAOYSA-N
MW294.28 g/mol
LogP-1.51
Rot. Bonds6

About 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid

2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458673) has the molecular formula C10H14N8O3 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
PubChem CID115458673
Molecular FormulaC10H14N8O3
Molecular Weight294.28 g/mol
Exact Mass294.12
IUPAC Name2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
SMILESCn1cnnc1CNC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C10H14N8O3/c1-17-6-13-15-8(17)3-12-10(21)11-2-7-4-18(16-14-7)5-9(19)20/h4,6H,2-3,5H2,1H3,(H,19,20)(H2,11,12,21)
InChIKeyUWNWDYKUGJVEJT-UHFFFAOYSA-N
XLogP-1.51
TPSA139.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

1-[2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288508
2-[4-[(but-3-enylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 113465860
2-[4-[[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458614
2-[4-[[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458655
2-[4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458538
2-[4-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 104763980
2-[4-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458611
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461789
2-[4-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458793
1-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451552
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid (CID 115458673) is 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid is Cn1cnnc1CNC(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid?
The InChIKey is UWNWDYKUGJVEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O3/c1-17-6-13-15-8(17)3-12-10(21)11-2-7-4-18(16-14-7)5-9(19)20/h4,6H,2-3,5H2,1H3,(H,19,20)(H2,11,12,21).
What are the key properties of 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid has a molecular weight of 294.28 g/mol, XLogP of -1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).