2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine

C24H19N15OS — CID 141026541

IUPAC2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine
SMILESc1c[nH]c(C2(c3nn[nH]n3)C(c3ccn[nH]3)(c3cccs3)OC(c3ncc[nH]3)C2(c2ncncn2)c2ncn[nH]2)c1
InChIInChI=1S/C24H19N15OS/c1-3-14(26-6-1)23(21-36-38-39-37-21)22(20-31-13-33-35-20,19-29-11-25-12-30-19)17(18-27-8-9-28-18)40-24(23,15-5-7-32-34-15)16-4-2-10-41-16/h1-13,17,26H,(H,27,28)(H,32,34)(H,31,33,35)(H,36,37,38,39)
InChIKeyDCKKFIWTZIDNMT-UHFFFAOYSA-N
MW565.59 g/mol
LogP1.33
Rot. Bonds7

About 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine

2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine (PubChem CID 141026541) has the molecular formula C24H19N15OS and a molecular weight of 565.59 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine
PubChem CID141026541
Molecular FormulaC24H19N15OS
Molecular Weight565.59 g/mol
Exact Mass565.16
IUPAC Name2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine
SMILESc1c[nH]c(C2(c3nn[nH]n3)C(c3ccn[nH]3)(c3cccs3)OC(c3ncc[nH]3)C2(c2ncncn2)c2ncn[nH]2)c1
InChIInChI=1S/C24H19N15OS/c1-3-14(26-6-1)23(21-36-38-39-37-21)22(20-31-13-33-35-20,19-29-11-25-12-30-19)17(18-27-8-9-28-18)40-24(23,15-5-7-32-34-15)16-4-2-10-41-16/h1-13,17,26H,(H,27,28)(H,32,34)(H,31,33,35)(H,36,37,38,39)
InChIKeyDCKKFIWTZIDNMT-UHFFFAOYSA-N
XLogP1.33
TPSA217.08 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.59
LogP ≤ 51.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine with MolForge

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Related Compounds

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CID 156028266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine (CID 141026541) is 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine is c1c[nH]c(C2(c3nn[nH]n3)C(c3ccn[nH]3)(c3cccs3)OC(c3ncc[nH]3)C2(c2ncncn2)c2ncn[nH]2)c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine?
The InChIKey is DCKKFIWTZIDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N15OS/c1-3-14(26-6-1)23(21-36-38-39-37-21)22(20-31-13-33-35-20,19-29-11-25-12-30-19)17(18-27-8-9-28-18)40-24(23,15-5-7-32-34-15)16-4-2-10-41-16/h1-13,17,26H,(H,27,28)(H,32,34)(H,31,33,35)(H,36,37,38,39).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine?
2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine has a molecular weight of 565.59 g/mol, XLogP of 1.33, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine is sourced from PubChem (CID 141026541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).