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

C17H23N5 — CID 112942648

IUPACN-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nncc(N3CCC(C)CC3)n2)cc1C
InChIInChI=1S/C17H23N5/c1-12-6-8-22(9-7-12)16-11-18-21-17(20-16)19-15-5-4-13(2)14(3)10-15/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyLTYIJTONZUYNPN-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.47
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112942648) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112942648
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nncc(N3CCC(C)CC3)n2)cc1C
InChIInChI=1S/C17H23N5/c1-12-6-8-22(9-7-12)16-11-18-21-17(20-16)19-15-5-4-13(2)14(3)10-15/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyLTYIJTONZUYNPN-UHFFFAOYSA-N
XLogP3.47
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942649
3-N-(3,4-dimethylphenyl)-5-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112963438
1-[3-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112942692
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938499
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
CID 112942710
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112942742
N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885211
5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112942724

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112942648) is N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is Cc1ccc(Nc2nncc(N3CCC(C)CC3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is LTYIJTONZUYNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-6-8-22(9-7-12)16-11-18-21-17(20-16)19-15-5-4-13(2)14(3)10-15/h4-5,10-12H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 297.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).