1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid

C12H18N4O2 — CID 107070377

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCc1nnc(N2CCCC(C)C2C(=O)O)nc1C
InChIInChI=1S/C12H18N4O2/c1-7-5-4-6-16(10(7)11(17)18)12-13-8(2)9(3)14-15-12/h7,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyICBLGOWANGASFK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.18
Rot. Bonds2

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107070377) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107070377
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCc1nnc(N2CCCC(C)C2C(=O)O)nc1C
InChIInChI=1S/C12H18N4O2/c1-7-5-4-6-16(10(7)11(17)18)12-13-8(2)9(3)14-15-12/h7,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyICBLGOWANGASFK-UHFFFAOYSA-N
XLogP1.18
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid (CID 107070377) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid is Cc1nnc(N2CCCC(C)C2C(=O)O)nc1C.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is ICBLGOWANGASFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-5-4-6-16(10(7)11(17)18)12-13-8(2)9(3)14-15-12/h7,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107070377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).