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

C14H11F2N7O — CID 150165988

IUPAC6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(OC(F)F)c(C#N)n1
InChIInChI=1S/C14H11F2N7O/c1-7-9(12(18)23-14(21-7)19-6-20-23)4-8-2-3-11(24-13(15)16)10(5-17)22-8/h2-3,6,13H,4,18H2,1H3
InChIKeyFIKJGZWDCARUBU-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.47
Rot. Bonds4

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

6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile (PubChem CID 150165988) has the molecular formula C14H11F2N7O and a molecular weight of 331.29 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile
PubChem CID150165988
Molecular FormulaC14H11F2N7O
Molecular Weight331.29 g/mol
Exact Mass331.10
IUPAC Name6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(OC(F)F)c(C#N)n1
InChIInChI=1S/C14H11F2N7O/c1-7-9(12(18)23-14(21-7)19-6-20-23)4-8-2-3-11(24-13(15)16)10(5-17)22-8/h2-3,6,13H,4,18H2,1H3
InChIKeyFIKJGZWDCARUBU-UHFFFAOYSA-N
XLogP1.47
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.47
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]-3-(difluoromethoxy)pyridine-2-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-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
3-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 46834952
(2S)-1-[[4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 57856282
N-[6-(6-amino-5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251922
US10287286, Example 31
CID 122540437
5-[5-Amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821338
US11583532, Example 1.1
CID 139369682
US11583532, Example 4.1
CID 139369683
2-((3-(Difluoromethoxy)pyridin-2-yl)methyl)-7-(4-fluorophenyl)-8-(imidazo[l,2-a]pyridin-6-yl)-[1,2,4 triazolo[l,5-c]pyrimidin-5-amine
CID 155371229
US11583532, Example 8.4
CID 155792425
US11583532, Example 9.3
CID 155792445

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]-3-(difluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile (CID 150165988) is 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile is Cc1nc2ncnn2c(N)c1Cc1ccc(OC(F)F)c(C#N)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is FIKJGZWDCARUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N7O/c1-7-9(12(18)23-14(21-7)19-6-20-23)4-8-2-3-11(24-13(15)16)10(5-17)22-8/h2-3,6,13H,4,18H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile?
6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-3-(difluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 331.29 g/mol, XLogP of 1.47, 4 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]-3-(difluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 150165988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).