7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H19N7 — CID 133288349

IUPAC7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCC4NNCC4C3)n3ncnc3n2)cc1
InChIInChI=1S/C17H19N7/c1-2-4-12(5-3-1)15-8-16(24-17(21-15)18-11-20-24)23-7-6-14-13(10-23)9-19-22-14/h1-5,8,11,13-14,19,22H,6-7,9-10H2
InChIKeyIPJCSOUFBHAFFG-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.09
Rot. Bonds2

About 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133288349) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133288349
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCC4NNCC4C3)n3ncnc3n2)cc1
InChIInChI=1S/C17H19N7/c1-2-4-12(5-3-1)15-8-16(24-17(21-15)18-11-20-24)23-7-6-14-13(10-23)9-19-22-14/h1-5,8,11,13-14,19,22H,6-7,9-10H2
InChIKeyIPJCSOUFBHAFFG-UHFFFAOYSA-N
XLogP1.09
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75369292
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
CID 133390857
1-(4-fluorophenyl)-3-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]urea
CID 119038965
7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane
CID 138992021
7-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92771815
4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 127652721
2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol
CID 78845346
5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133450849
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3227365

Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133288349) is 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2cc(N3CCC4NNCC4C3)n3ncnc3n2)cc1.
What is the InChIKey of 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IPJCSOUFBHAFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-2-4-12(5-3-1)15-8-16(24-17(21-15)18-11-20-24)23-7-6-14-13(10-23)9-19-22-14/h1-5,8,11,13-14,19,22H,6-7,9-10H2.
What are the key properties of 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 321.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133288349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).