N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine

C17H23N5 — CID 112948593

IUPACN-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1ccc(CNc2cnnc(N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C17H23N5/c1-13-5-7-15(8-6-13)10-18-16-11-19-21-17(20-16)22-9-3-4-14(2)12-22/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,18,20,21)
InChIKeyBZJVKLMAPPFZBI-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.03
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine

N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112948593) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112948593
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1ccc(CNc2cnnc(N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C17H23N5/c1-13-5-7-15(8-6-13)10-18-16-11-19-21-17(20-16)22-9-3-4-14(2)12-22/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,18,20,21)
InChIKeyBZJVKLMAPPFZBI-UHFFFAOYSA-N
XLogP3.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-[(4-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947004
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112891407
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948577
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261
N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
N-(3-bromo-4-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960744
N-(3-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960735
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450
3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112960756

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112948593) is N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is Cc1ccc(CNc2cnnc(N3CCCC(C)C3)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is BZJVKLMAPPFZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-5-7-15(8-6-13)10-18-16-11-19-21-17(20-16)22-9-3-4-14(2)12-22/h5-8,11,14H,3-4,9-10,12H2,1-2H3,(H,18,20,21).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 297.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).