N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine

C13H23N5 — CID 112942066

IUPACN-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-11(2)6-7-14-12-10-15-17-13(16-12)18-8-4-3-5-9-18/h10-11H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyDFNHBZAHNBIBTC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.32
Rot. Bonds5

About N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine

N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112942066) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112942066
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-11(2)6-7-14-12-10-15-17-13(16-12)18-8-4-3-5-9-18/h10-11H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyDFNHBZAHNBIBTC-UHFFFAOYSA-N
XLogP2.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
N-[2-(4-methoxyphenoxy)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942061
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
3-(azepan-1-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112944417
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941280
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (CID 112942066) is N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is CC(C)CCNc1cnnc(N2CCCCC2)n1.
What is the InChIKey of N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is DFNHBZAHNBIBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)6-7-14-12-10-15-17-13(16-12)18-8-4-3-5-9-18/h10-11H,3-9H2,1-2H3,(H,14,16,17).
What are the key properties of N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).