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

C17H18N8S — CID 68840184

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCCC3c3nccs3)nc3cccn23)n[nH]1
InChIInChI=1S/C17H18N8S/c1-11-10-13(23-22-11)19-16-21-17(20-14-5-3-8-25(14)16)24-7-2-4-12(24)15-18-6-9-26-15/h3,5-6,8-10,12H,2,4,7H2,1H3,(H2,19,20,21,22,23)
InChIKeyZHPSXHMKIKZGHY-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.30
Rot. Bonds4

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

N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine (PubChem CID 68840184) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
PubChem CID68840184
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCCC3c3nccs3)nc3cccn23)n[nH]1
InChIInChI=1S/C17H18N8S/c1-11-10-13(23-22-11)19-16-21-17(20-14-5-3-8-25(14)16)24-7-2-4-12(24)15-18-6-9-26-15/h3,5-6,8-10,12H,2,4,7H2,1H3,(H2,19,20,21,22,23)
InChIKeyZHPSXHMKIKZGHY-UHFFFAOYSA-N
XLogP3.30
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine (CID 68840184) is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-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-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine is Cc1cc(Nc2nc(N3CCCC3c3nccs3)nc3cccn23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
The InChIKey is ZHPSXHMKIKZGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-11-10-13(23-22-11)19-16-21-17(20-14-5-3-8-25(14)16)24-7-2-4-12(24)15-18-6-9-26-15/h3,5-6,8-10,12H,2,4,7H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine has a molecular weight of 366.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 68840184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).