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

C14H25N5 — CID 112940731

IUPACN-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCCCC2CC)n1
InChIInChI=1S/C14H25N5/c1-4-11(3)16-13-10-15-18-14(17-13)19-9-7-6-8-12(19)5-2/h10-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyHOBJFDWIMHOWQJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.85
Rot. Bonds5

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

N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112940731) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112940731
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC(C)Nc1cnnc(N2CCCCC2CC)n1
InChIInChI=1S/C14H25N5/c1-4-11(3)16-13-10-15-18-14(17-13)19-9-7-6-8-12(19)5-2/h10-12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyHOBJFDWIMHOWQJ-UHFFFAOYSA-N
XLogP2.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112958109

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112940731) is N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine is CCC(C)Nc1cnnc(N2CCCCC2CC)n1.
What is the InChIKey of N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is HOBJFDWIMHOWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-11(3)16-13-10-15-18-14(17-13)19-9-7-6-8-12(19)5-2/h10-12H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 263.39 g/mol, XLogP of 2.85, 5 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-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112940731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).