2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid

C9H13N3O2 — CID 105448907

IUPAC2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
SMILESCC(C)Cc1cnnc(CC(=O)O)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)3-7-5-10-12-8(11-7)4-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyFRYZXHGHDTWWKH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.70
Rot. Bonds4

About 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid

2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid (PubChem CID 105448907) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
PubChem CID105448907
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
SMILESCC(C)Cc1cnnc(CC(=O)O)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)3-7-5-10-12-8(11-7)4-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyFRYZXHGHDTWWKH-UHFFFAOYSA-N
XLogP0.70
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-1,2,4-triazin-3-amine
CID 105429780
3-(5-propyl-1,2,4-triazin-3-yl)propanoic acid
CID 105448909
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
CID 105480301
2,3-dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid
CID 83484624
2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 84677639
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
CID 107461534
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
3-(aminomethyl)-1,2,4-triazine-5-carboxylic acid
CID 22099275
5-(2-methylpropyl)-2H-1,2,4-triazin-3-one
CID 105429895

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid?
The IUPAC name of 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid (CID 105448907) is 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid is CC(C)Cc1cnnc(CC(=O)O)n1.
What is the InChIKey of 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid?
The InChIKey is FRYZXHGHDTWWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)3-7-5-10-12-8(11-7)4-9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid?
2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid is sourced from PubChem (CID 105448907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).