2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid

C12H16N6O3 — CID 115457511

IUPAC2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCc1cc(C)n(CC(=O)NCc2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C12H16N6O3/c1-8-3-9(2)18(15-8)6-11(19)13-4-10-5-17(16-14-10)7-12(20)21/h3,5H,4,6-7H2,1-2H3,(H,13,19)(H,20,21)
InChIKeyCORPPAXROUUAMW-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.51
Rot. Bonds6

About 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115457511) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID115457511
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCc1cc(C)n(CC(=O)NCc2cn(CC(=O)O)nn2)n1
InChIInChI=1S/C12H16N6O3/c1-8-3-9(2)18(15-8)6-11(19)13-4-10-5-17(16-14-10)7-12(20)21/h3,5H,4,6-7H2,1-2H3,(H,13,19)(H,20,21)
InChIKeyCORPPAXROUUAMW-UHFFFAOYSA-N
XLogP-0.51
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
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2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
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2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
2-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 56785462
2-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
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2-[4-[[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
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2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698322
2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604
2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid (CID 115457511) is 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid is Cc1cc(C)n(CC(=O)NCc2cn(CC(=O)O)nn2)n1.
What is the InChIKey of 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is CORPPAXROUUAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-8-3-9(2)18(15-8)6-11(19)13-4-10-5-17(16-14-10)7-12(20)21/h3,5H,4,6-7H2,1-2H3,(H,13,19)(H,20,21).
What are the key properties of 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 292.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115457511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).