2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]

C17H16N4S — CID 136550976

IUPAC2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]
SMILESc1csc(-c2nc3n(n2)C2(CCCC2)Nc2ccccc2-3)c1
InChIInChI=1S/C17H16N4S/c1-2-7-13-12(6-1)16-18-15(14-8-5-11-22-14)20-21(16)17(19-13)9-3-4-10-17/h1-2,5-8,11,19H,3-4,9-10H2
InChIKeyCIAVINZMPVJCMQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.33
Rot. Bonds1

About 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]

2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane] (PubChem CID 136550976) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane].

Molecular Properties

Compound Name2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]
PubChem CID136550976
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]
SMILESc1csc(-c2nc3n(n2)C2(CCCC2)Nc2ccccc2-3)c1
InChIInChI=1S/C17H16N4S/c1-2-7-13-12(6-1)16-18-15(14-8-5-11-22-14)20-21(16)17(19-13)9-3-4-10-17/h1-2,5-8,11,19H,3-4,9-10H2
InChIKeyCIAVINZMPVJCMQ-UHFFFAOYSA-N
XLogP4.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane] with MolForge

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Related Compounds

1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
CID 99803170
2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine
CID 121315563
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 11830469
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 62732446
4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 63654749
4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-4-propylpiperidine
CID 63126368

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]?
The IUPAC name of 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane] (CID 136550976) is 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane].
What is the SMILES notation for 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]?
The canonical SMILES for 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane] is c1csc(-c2nc3n(n2)C2(CCCC2)Nc2ccccc2-3)c1.
What is the InChIKey of 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]?
The InChIKey is CIAVINZMPVJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-2-7-13-12(6-1)16-18-15(14-8-5-11-22-14)20-21(16)17(19-13)9-3-4-10-17/h1-2,5-8,11,19H,3-4,9-10H2.
What are the key properties of 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane]?
2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane] has a molecular weight of 308.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylspiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,1'-cyclopentane] is sourced from PubChem (CID 136550976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).