2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine

C15H20N8 — CID 67135837

IUPAC2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCNCC3C)nc3cccn23)n[nH]1
InChIInChI=1S/C15H20N8/c1-10-8-12(21-20-10)17-14-19-15(18-13-4-3-6-23(13)14)22-7-5-16-9-11(22)2/h3-4,6,8,11,16H,5,7,9H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZGTQXOWUXCEDGP-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.30
Rot. Bonds3

About 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine

2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (PubChem CID 67135837) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
PubChem CID67135837
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCNCC3C)nc3cccn23)n[nH]1
InChIInChI=1S/C15H20N8/c1-10-8-12(21-20-10)17-14-19-15(18-13-4-3-6-23(13)14)22-7-5-16-9-11(22)2/h3-4,6,8,11,16H,5,7,9H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZGTQXOWUXCEDGP-UHFFFAOYSA-N
XLogP1.30
TPSA86.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 68844084
2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 68845007
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
CID 66985005
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
CID 68842046
(2S)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 66971752
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
(2S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
CID 66971583
N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride
CID 122624110
[(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]methyl] 2-aminopropanoate
CID 66985027
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
4-[[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carbonyl]amino]benzoic acid
CID 66971760

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (CID 67135837) is 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is Cc1cc(Nc2nc(N3CCNCC3C)nc3cccn23)n[nH]1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is ZGTQXOWUXCEDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-10-8-12(21-20-10)17-14-19-15(18-13-4-3-6-23(13)14)22-7-5-16-9-11(22)2/h3-4,6,8,11,16H,5,7,9H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 67135837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).