2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one

C19H17N7O — CID 132538329

IUPAC2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one
SMILESCc1cc(C)n2nc(CCc3cc(=O)n4[nH]c5ccccc5c4n3)nc2n1
InChIInChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,23H,7-8H2,1-2H3
InChIKeySRUGAULFRUOYGU-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.02
Rot. Bonds3

About 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one

2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one (PubChem CID 132538329) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one.

Molecular Properties

Compound Name2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one
PubChem CID132538329
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one
SMILESCc1cc(C)n2nc(CCc3cc(=O)n4[nH]c5ccccc5c4n3)nc2n1
InChIInChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,23H,7-8H2,1-2H3
InChIKeySRUGAULFRUOYGU-UHFFFAOYSA-N
XLogP2.02
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
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]-6H-pyrimido[1,2-b]indazol-4-one?
The IUPAC name of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one (CID 132538329) is 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one.
What is the SMILES notation for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one?
The canonical SMILES for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one is Cc1cc(C)n2nc(CCc3cc(=O)n4[nH]c5ccccc5c4n3)nc2n1.
What is the InChIKey of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one?
The InChIKey is SRUGAULFRUOYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,23H,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]-6H-pyrimido[1,2-b]indazol-4-one?
2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-6H-pyrimido[1,2-b]indazol-4-one has a molecular weight of 359.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 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]-6H-pyrimido[1,2-b]indazol-4-one is sourced from PubChem (CID 132538329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).