N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine

C13H23N5 — CID 112940732

IUPACN-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-11(3)15-12-8-14-17-13(16-12)18-7-5-6-10(2)9-18/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyISHQLWLIALYOOJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.32
Rot. Bonds4

About N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine

N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112940732) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112940732
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-11(3)15-12-8-14-17-13(16-12)18-7-5-6-10(2)9-18/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyISHQLWLIALYOOJ-UHFFFAOYSA-N
XLogP2.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112960756
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
CID 112945837
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
N-(3-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960735
N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112940732) is N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is CCC(C)Nc1cnnc(N2CCCC(C)C2)n1.
What is the InChIKey of N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is ISHQLWLIALYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-11(3)15-12-8-14-17-13(16-12)18-7-5-6-10(2)9-18/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112940732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).