2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid

C10H12N6O3 — CID 115457910

IUPAC2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOc1cc(NCc2cn(CC(=O)O)nn2)ncn1
InChIInChI=1S/C10H12N6O3/c1-19-9-2-8(12-6-13-9)11-3-7-4-16(15-14-7)5-10(17)18/h2,4,6H,3,5H2,1H3,(H,17,18)(H,11,12,13)
InChIKeyLHKQMXNPPCJTJW-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.23
Rot. Bonds6

About 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115457910) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115457910
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOc1cc(NCc2cn(CC(=O)O)nn2)ncn1
InChIInChI=1S/C10H12N6O3/c1-19-9-2-8(12-6-13-9)11-3-7-4-16(15-14-7)5-10(17)18/h2,4,6H,3,5H2,1H3,(H,17,18)(H,11,12,13)
InChIKeyLHKQMXNPPCJTJW-UHFFFAOYSA-N
XLogP-0.23
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885785
2-[4-[(4-Methoxypyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 47390198
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-dimethoxypyrimidin-4-amine
CID 68282802
4-Methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
CID 141214133
2-(6-Methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1,3-dihydropyrazol-3-ol;hydrochloride
CID 174586067
4-N-[(3-ethylimidazol-4-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 39834331
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-methoxypyrimidin-4-amine
CID 50976269
1-[2-[(4-Methoxypyrimidin-2-yl)amino]ethyl]triazole-4-carboxylic acid
CID 65948177
1-[2-[(6-Ethoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66318564
1-[2-[(6-Methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66321006
N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine
CID 66324984
N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66326124

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid (CID 115457910) is 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid is COc1cc(NCc2cn(CC(=O)O)nn2)ncn1.
What is the InChIKey of 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is LHKQMXNPPCJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-19-9-2-8(12-6-13-9)11-3-7-4-16(15-14-7)5-10(17)18/h2,4,6H,3,5H2,1H3,(H,17,18)(H,11,12,13).
What are the key properties of 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 264.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-methoxypyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115457910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).