1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid

C10H11FN6O2 — CID 114045525

IUPAC1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCc1ncnc(NCCn2cc(C(=O)O)nn2)c1F
InChIInChI=1S/C10H11FN6O2/c1-6-8(11)9(14-5-13-6)12-2-3-17-4-7(10(18)19)15-16-17/h4-5H,2-3H2,1H3,(H,18,19)(H,12,13,14)
InChIKeyQZVZLDPKKKOORY-UHFFFAOYSA-N
MW266.24 g/mol
LogP0.33
Rot. Bonds5

About 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 114045525) has the molecular formula C10H11FN6O2 and a molecular weight of 266.24 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID114045525
Molecular FormulaC10H11FN6O2
Molecular Weight266.24 g/mol
Exact Mass266.09
IUPAC Name1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCc1ncnc(NCCn2cc(C(=O)O)nn2)c1F
InChIInChI=1S/C10H11FN6O2/c1-6-8(11)9(14-5-13-6)12-2-3-17-4-7(10(18)19)15-16-17/h4-5H,2-3H2,1H3,(H,18,19)(H,12,13,14)
InChIKeyQZVZLDPKKKOORY-UHFFFAOYSA-N
XLogP0.33
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid (CID 114045525) is 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid is Cc1ncnc(NCCn2cc(C(=O)O)nn2)c1F.
What is the InChIKey of 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is QZVZLDPKKKOORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O2/c1-6-8(11)9(14-5-13-6)12-2-3-17-4-7(10(18)19)15-16-17/h4-5H,2-3H2,1H3,(H,18,19)(H,12,13,14).
What are the key properties of 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 266.24 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 114045525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).