[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine

C12H21N5 — CID 114787115

IUPAC[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
SMILESCc1nnc(N2CCCC(C)C2CN)nc1C
InChIInChI=1S/C12H21N5/c1-8-5-4-6-17(11(8)7-13)12-14-9(2)10(3)15-16-12/h8,11H,4-7,13H2,1-3H3
InChIKeyUAHZGPDQKYHYDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.05
Rot. Bonds2

About [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine

[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 114787115) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
PubChem CID114787115
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
SMILESCc1nnc(N2CCCC(C)C2CN)nc1C
InChIInChI=1S/C12H21N5/c1-8-5-4-6-17(11(8)7-13)12-14-9(2)10(3)15-16-12/h8,11H,4-7,13H2,1-3H3
InChIKeyUAHZGPDQKYHYDQ-UHFFFAOYSA-N
XLogP1.05
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.05
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-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine (CID 114787115) is [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine is Cc1nnc(N2CCCC(C)C2CN)nc1C.
What is the InChIKey of [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is UAHZGPDQKYHYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-5-4-6-17(11(8)7-13)12-14-9(2)10(3)15-16-12/h8,11H,4-7,13H2,1-3H3.
What are the key properties of [1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine?
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.05, 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-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 114787115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).