N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine

C18H25N5 — CID 95099026

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
SMILESCCN1CCC[C@H]1CNc1nc(-c2cccc(C)c2)nnc1C
InChIInChI=1S/C18H25N5/c1-4-23-10-6-9-16(23)12-19-17-14(3)21-22-18(20-17)15-8-5-7-13(2)11-15/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,19,20,22)/t16-/m0/s1
InChIKeyZJEMGVYOKSPCKR-INIZCTEOSA-N
MW311.43 g/mol
LogP3.05
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine (PubChem CID 95099026) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
PubChem CID95099026
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
SMILESCCN1CCC[C@H]1CNc1nc(-c2cccc(C)c2)nnc1C
InChIInChI=1S/C18H25N5/c1-4-23-10-6-9-16(23)12-19-17-14(3)21-22-18(20-17)15-8-5-7-13(2)11-15/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,19,20,22)/t16-/m0/s1
InChIKeyZJEMGVYOKSPCKR-INIZCTEOSA-N
XLogP3.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-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-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111261167
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
CID 59867538
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4795424
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-methylphenyl)thiourea
CID 2408802
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193826
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine (CID 95099026) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine is CCN1CCC[C@H]1CNc1nc(-c2cccc(C)c2)nnc1C.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is ZJEMGVYOKSPCKR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5/c1-4-23-10-6-9-16(23)12-19-17-14(3)21-22-18(20-17)15-8-5-7-13(2)11-15/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,19,20,22)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 311.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 95099026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).