N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine

C15H18ClN5 — CID 112942109

IUPACN-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(Nc2cnnc(N3CCCCC3)n2)cc1Cl
InChIInChI=1S/C15H18ClN5/c1-11-5-6-12(9-13(11)16)18-14-10-17-20-15(19-14)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyLLIALTGGBMTZIS-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.57
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine

N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112942109) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112942109
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC NameN-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(Nc2cnnc(N3CCCCC3)n2)cc1Cl
InChIInChI=1S/C15H18ClN5/c1-11-5-6-12(9-13(11)16)18-14-10-17-20-15(19-14)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,20)
InChIKeyLLIALTGGBMTZIS-UHFFFAOYSA-N
XLogP3.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-chloro-4-methylphenyl)-3-N-(4-piperidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966522
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942174
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 112961433
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549
1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
CID 112942131
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298469
3-(azepan-1-yl)-N-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 112961449

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (CID 112942109) is N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is Cc1ccc(Nc2cnnc(N3CCCCC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is LLIALTGGBMTZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-11-5-6-12(9-13(11)16)18-14-10-17-20-15(19-14)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 303.80 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).