7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C25H16N14 — CID 139236297

IUPAC7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccnc3ncnn23)c(-c2ccnc3ncnn23)nn1-c1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C25H16N14/c1-15-21(19-7-10-27-24-30-13-33-38(19)24)22(20-8-11-28-25-31-14-34-39(20)25)35-36(15)17-4-2-16(3-5-17)18-6-9-26-23-29-12-32-37(18)23/h2-14H,1H3
InChIKeyBQOYLBMCJHVQMJ-UHFFFAOYSA-N
MW512.50 g/mol
LogP2.49
Rot. Bonds4

About 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 139236297) has the molecular formula C25H16N14 and a molecular weight of 512.50 g/mol. Its IUPAC name is 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID139236297
Molecular FormulaC25H16N14
Molecular Weight512.50 g/mol
Exact Mass512.17
IUPAC Name7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(-c2ccnc3ncnn23)c(-c2ccnc3ncnn23)nn1-c1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C25H16N14/c1-15-21(19-7-10-27-24-30-13-33-38(19)24)22(20-8-11-28-25-31-14-34-39(20)25)35-36(15)17-4-2-16(3-5-17)18-6-9-26-23-29-12-32-37(18)23/h2-14H,1H3
InChIKeyBQOYLBMCJHVQMJ-UHFFFAOYSA-N
XLogP2.49
TPSA147.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 139236297) is 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(-c2ccnc3ncnn23)c(-c2ccnc3ncnn23)nn1-c1ccc(-c2ccnc3ncnn23)cc1.
What is the InChIKey of 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BQOYLBMCJHVQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N14/c1-15-21(19-7-10-27-24-30-13-33-38(19)24)22(20-8-11-28-25-31-14-34-39(20)25)35-36(15)17-4-2-16(3-5-17)18-6-9-26-23-29-12-32-37(18)23/h2-14H,1H3.
What are the key properties of 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 512.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[5-methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139236297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).