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

C16H21N5 — CID 112960710

IUPACN-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
SMILESCC1CCCN(c2nncc(N(C)c3ccccc3)n2)C1
InChIInChI=1S/C16H21N5/c1-13-7-6-10-21(12-13)16-18-15(11-17-19-16)20(2)14-8-4-3-5-9-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
InChIKeyBGMNXFCFGMNBDA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.88
Rot. Bonds3

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

N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112960710) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112960710
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
SMILESCC1CCCN(c2nncc(N(C)c3ccccc3)n2)C1
InChIInChI=1S/C16H21N5/c1-13-7-6-10-21(12-13)16-18-15(11-17-19-16)20(2)14-8-4-3-5-9-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
InChIKeyBGMNXFCFGMNBDA-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112961359
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957952
N-(2-bromophenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960779
5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
CID 112945837
3-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112960756
N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112916943
N-[2,6-di(propan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960786
N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112951735
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
N-(3-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960735
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine (CID 112960710) is N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine is CC1CCCN(c2nncc(N(C)c3ccccc3)n2)C1.
What is the InChIKey of N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is BGMNXFCFGMNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13-7-6-10-21(12-13)16-18-15(11-17-19-16)20(2)14-8-4-3-5-9-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 283.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).