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

C15H19N5 — CID 112942079

IUPACN-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCc1cccc(Nc2cnnc(N3CCCCC3)n2)c1
InChIInChI=1S/C15H19N5/c1-12-6-5-7-13(10-12)17-14-11-16-19-15(18-14)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,19)
InChIKeyBSZQPQIOONHLBS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.91
Rot. Bonds3

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

N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112942079) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112942079
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCc1cccc(Nc2cnnc(N3CCCCC3)n2)c1
InChIInChI=1S/C15H19N5/c1-12-6-5-7-13(10-12)17-14-11-16-19-15(18-14)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,19)
InChIKeyBSZQPQIOONHLBS-UHFFFAOYSA-N
XLogP2.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
CID 112941370
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
methyl 3-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]benzoate
CID 112942135
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 112961433
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942900
3-(azepan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazin-5-amine
CID 112961435
1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
CID 112942131
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-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (CID 112942079) is N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is Cc1cccc(Nc2cnnc(N3CCCCC3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is BSZQPQIOONHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-12-6-5-7-13(10-12)17-14-11-16-19-15(18-14)20-8-3-2-4-9-20/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).