2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid

C10H12N6O3 — CID 66289613

IUPAC2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCN(Cc1cn[nH]c1)C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C10H12N6O3/c1-15(4-7-2-11-12-3-7)10(19)8-5-16(14-13-8)6-9(17)18/h2-3,5H,4,6H2,1H3,(H,11,12)(H,17,18)
InChIKeyAMWAYVSHIINDHO-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.64
Rot. Bonds5

About 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid

2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid (PubChem CID 66289613) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
PubChem CID66289613
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
SMILESCN(Cc1cn[nH]c1)C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C10H12N6O3/c1-15(4-7-2-11-12-3-7)10(19)8-5-16(14-13-8)6-9(17)18/h2-3,5H,4,6H2,1H3,(H,11,12)(H,17,18)
InChIKeyAMWAYVSHIINDHO-UHFFFAOYSA-N
XLogP-0.64
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid (CID 66289613) is 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid is CN(Cc1cn[nH]c1)C(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is AMWAYVSHIINDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-15(4-7-2-11-12-3-7)10(19)8-5-16(14-13-8)6-9(17)18/h2-3,5H,4,6H2,1H3,(H,11,12)(H,17,18).
What are the key properties of 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid?
2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 264.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66289613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).