N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

C21H31N5O3 — CID 25383509

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2cnnc(NCC3(N(C)C)CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C21H31N5O3/c1-26(2)21(9-7-6-8-10-21)14-22-20-24-16(13-23-25-20)15-11-17(27-3)19(29-5)18(12-15)28-4/h11-13H,6-10,14H2,1-5H3,(H,22,24,25)
InChIKeyHTSFOQKGTZGIPQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.24
Rot. Bonds8

About N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 25383509) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID25383509
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2cnnc(NCC3(N(C)C)CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C21H31N5O3/c1-26(2)21(9-7-6-8-10-21)14-22-20-24-16(13-23-25-20)15-11-17(27-3)19(29-5)18(12-15)28-4/h11-13H,6-10,14H2,1-5H3,(H,22,24,25)
InChIKeyHTSFOQKGTZGIPQ-UHFFFAOYSA-N
XLogP3.24
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-(3-propan-2-yloxypropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 26396119
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 25459604
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 83113996
4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine
CID 131892110
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
CID 78995555
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 42595056
6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
CID 104923863
4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976700

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (CID 25383509) is N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is COc1cc(-c2cnnc(NCC3(N(C)C)CCCCC3)n2)cc(OC)c1OC.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is HTSFOQKGTZGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-26(2)21(9-7-6-8-10-21)14-22-20-24-16(13-23-25-20)15-11-17(27-3)19(29-5)18(12-15)28-4/h11-13H,6-10,14H2,1-5H3,(H,22,24,25).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 401.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25383509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).