N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

C15H19N5 — CID 112941132

IUPACN-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nncc(N3CCCC3)n2)cc1C
InChIInChI=1S/C15H19N5/c1-11-5-6-13(9-12(11)2)17-15-18-14(10-16-19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyYFKVUONKKDSQSE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941132) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941132
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nncc(N3CCCC3)n2)cc1C
InChIInChI=1S/C15H19N5/c1-11-5-6-13(9-12(11)2)17-15-18-14(10-16-19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyYFKVUONKKDSQSE-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648
N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941993
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone
CID 112941941
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941199
methyl 4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]benzoate
CID 112941946
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941921
N-(3,4-difluorophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957453

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112941132) is N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is Cc1ccc(Nc2nncc(N3CCCC3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is YFKVUONKKDSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-5-6-13(9-12(11)2)17-15-18-14(10-16-19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 269.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).