6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile

C15H13F2N7O — CID 139369663

IUPAC6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC(F)F)n1
InChIInChI=1S/C15H13F2N7O/c1-8-11(13(19)24-15(22-8)20-7-21-24)4-10-3-2-9(5-18)14(23-10)25-6-12(16)17/h2-3,7,12H,4,6,19H2,1H3
InChIKeyHJSFOUOOTROZTO-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.52
Rot. Bonds5

About 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile

6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile (PubChem CID 139369663) has the molecular formula C15H13F2N7O and a molecular weight of 345.31 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile
PubChem CID139369663
Molecular FormulaC15H13F2N7O
Molecular Weight345.31 g/mol
Exact Mass345.11
IUPAC Name6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC(F)F)n1
InChIInChI=1S/C15H13F2N7O/c1-8-11(13(19)24-15(22-8)20-7-21-24)4-10-3-2-9(5-18)14(23-10)25-6-12(16)17/h2-3,7,12H,4,6,19H2,1H3
InChIKeyHJSFOUOOTROZTO-UHFFFAOYSA-N
XLogP1.52
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[[5-Bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376873
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
4-(6-Ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-(trifluoromethyl)phenyl)pyrimidin-2-amine
CID 6539382
7-[4-(3-Fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3725345
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
3-(6-(4-Fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158660
US10307425, Example 16
CID 122443093
5-((2R,4S)-4-fluoro-2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 129137805
US11583532, Example 1.1
CID 139369682
US11583532, Example 4.1
CID 139369683
US11583532, Example 6.2
CID 139376876

Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile (CID 139369663) is 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile is Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCC(F)F)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
The InChIKey is HJSFOUOOTROZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N7O/c1-8-11(13(19)24-15(22-8)20-7-21-24)4-10-3-2-9(5-18)14(23-10)25-6-12(16)17/h2-3,7,12H,4,6,19H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile?
6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile has a molecular weight of 345.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(2,2-difluoroethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 139369663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).