N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine

C13H22ClN5 — CID 166152965

IUPACN-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NC2CCCN(C(C)(C)C)C2)nnc1Cl
InChIInChI=1S/C13H22ClN5/c1-9-11(14)17-18-12(15-9)16-10-6-5-7-19(8-10)13(2,3)4/h10H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyYJSSEESGZLPATD-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.51
Rot. Bonds2

About N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine

N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine (PubChem CID 166152965) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
PubChem CID166152965
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC NameN-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NC2CCCN(C(C)(C)C)C2)nnc1Cl
InChIInChI=1S/C13H22ClN5/c1-9-11(14)17-18-12(15-9)16-10-6-5-7-19(8-10)13(2,3)4/h10H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyYJSSEESGZLPATD-UHFFFAOYSA-N
XLogP2.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
methyl 3-[(3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]propanoate
CID 171787610
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 91409364
(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
CID 176918028
trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
CID 171763552
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
3-methyl-2-[5-methyl-3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 170258663
N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine (CID 166152965) is N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine is Cc1nc(NC2CCCN(C(C)(C)C)C2)nnc1Cl.
What is the InChIKey of N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is YJSSEESGZLPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-9-11(14)17-18-12(15-9)16-10-6-5-7-19(8-10)13(2,3)4/h10H,5-8H2,1-4H3,(H,15,16,18).
What are the key properties of N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine?
N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 283.81 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 166152965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).