2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole

C19H17N7 — CID 155528020

IUPAC2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole
SMILESCc1cc(C)n2nc(CCc3ccn4nc5ccccc5c4n3)nc2n1
InChIInChI=1S/C19H17N7/c1-12-11-13(2)26-19(20-12)22-17(24-26)8-7-14-9-10-25-18(21-14)15-5-3-4-6-16(15)23-25/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKAYHHTXAHWYDGN-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.72
Rot. Bonds3

About 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole

2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole (PubChem CID 155528020) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole.

Molecular Properties

Compound Name2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole
PubChem CID155528020
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole
SMILESCc1cc(C)n2nc(CCc3ccn4nc5ccccc5c4n3)nc2n1
InChIInChI=1S/C19H17N7/c1-12-11-13(2)26-19(20-12)22-17(24-26)8-7-14-9-10-25-18(21-14)15-5-3-4-6-16(15)23-25/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKAYHHTXAHWYDGN-UHFFFAOYSA-N
XLogP2.72
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole?
The IUPAC name of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole (CID 155528020) is 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole.
What is the SMILES notation for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole?
The canonical SMILES for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole is Cc1cc(C)n2nc(CCc3ccn4nc5ccccc5c4n3)nc2n1.
What is the InChIKey of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole?
The InChIKey is KAYHHTXAHWYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-12-11-13(2)26-19(20-12)22-17(24-26)8-7-14-9-10-25-18(21-14)15-5-3-4-6-16(15)23-25/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole?
2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole has a molecular weight of 343.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrimido[1,2-b]indazole is sourced from PubChem (CID 155528020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).