N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

C15H27N5 — CID 114787661

IUPACN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(N2CCCC(CNCC(C)C)C2)nc1C
InChIInChI=1S/C15H27N5/c1-11(2)8-16-9-14-6-5-7-20(10-14)15-17-12(3)13(4)18-19-15/h11,14,16H,5-10H2,1-4H3
InChIKeyLVKJRXCSDRNWMN-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.95
Rot. Bonds5

About N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114787661) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID114787661
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(N2CCCC(CNCC(C)C)C2)nc1C
InChIInChI=1S/C15H27N5/c1-11(2)8-16-9-14-6-5-7-20(10-14)15-17-12(3)13(4)18-19-15/h11,14,16H,5-10H2,1-4H3
InChIKeyLVKJRXCSDRNWMN-UHFFFAOYSA-N
XLogP1.95
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 114787661) is N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is Cc1nnc(N2CCCC(CNCC(C)C)C2)nc1C.
What is the InChIKey of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LVKJRXCSDRNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)8-16-9-14-6-5-7-20(10-14)15-17-12(3)13(4)18-19-15/h11,14,16H,5-10H2,1-4H3.
What are the key properties of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114787661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).