N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine

C13H23N5 — CID 112941878

IUPACN-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCCCCN(C)c1nncc(N2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-3-4-8-17(2)13-15-12(11-14-16-13)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3
InChIKeyOISTUKOOVVPCED-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.10
Rot. Bonds5

About N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941878) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941878
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCCCCN(C)c1nncc(N2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-3-4-8-17(2)13-15-12(11-14-16-13)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3
InChIKeyOISTUKOOVVPCED-UHFFFAOYSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941878) is N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine is CCCCN(C)c1nncc(N2CCCCC2)n1.
What is the InChIKey of N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is OISTUKOOVVPCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-4-8-17(2)13-15-12(11-14-16-13)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).