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

C21H23N7 — CID 68844084

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCCC(c4ccccc4)C3)nc3cccn23)n[nH]1
InChIInChI=1S/C21H23N7/c1-15-13-18(26-25-15)22-21-24-20(23-19-10-6-12-28(19)21)27-11-5-9-17(14-27)16-7-3-2-4-8-16/h2-4,6-8,10,12-13,17H,5,9,11,14H2,1H3,(H2,22,23,24,25,26)
InChIKeyQXHDLRAOQRYFRA-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.89
Rot. Bonds4

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

N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (PubChem CID 68844084) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
PubChem CID68844084
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCCC(c4ccccc4)C3)nc3cccn23)n[nH]1
InChIInChI=1S/C21H23N7/c1-15-13-18(26-25-15)22-21-24-20(23-19-10-6-12-28(19)21)27-11-5-9-17(14-27)16-7-3-2-4-8-16/h2-4,6-8,10,12-13,17H,5,9,11,14H2,1H3,(H2,22,23,24,25,26)
InChIKeyQXHDLRAOQRYFRA-UHFFFAOYSA-N
XLogP3.89
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine (CID 68844084) is N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is Cc1cc(Nc2nc(N3CCCC(c4ccccc4)C3)nc3cccn23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is QXHDLRAOQRYFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-15-13-18(26-25-15)22-21-24-20(23-19-10-6-12-28(19)21)27-11-5-9-17(14-27)16-7-3-2-4-8-16/h2-4,6-8,10,12-13,17H,5,9,11,14H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 68844084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).