2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile

C14H10F2N6OS — CID 130378565

IUPAC2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile
SMILESN#Cc1ccc(OC(F)F)cc1CSc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H10F2N6OS/c15-14(16)23-9-2-1-7(5-17)8(3-9)6-24-10-4-11(18)19-13-12(10)20-22-21-13/h1-4,14H,6H2,(H3,18,19,20,21,22)
InChIKeyCWZOVESGIZLNCZ-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.70
Rot. Bonds5

About 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile (PubChem CID 130378565) has the molecular formula C14H10F2N6OS and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile.

Molecular Properties

Compound Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile
PubChem CID130378565
Molecular FormulaC14H10F2N6OS
Molecular Weight348.34 g/mol
Exact Mass348.06
IUPAC Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile
SMILESN#Cc1ccc(OC(F)F)cc1CSc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H10F2N6OS/c15-14(16)23-9-2-1-7(5-17)8(3-9)6-24-10-4-11(18)19-13-12(10)20-22-21-13/h1-4,14H,6H2,(H3,18,19,20,21,22)
InChIKeyCWZOVESGIZLNCZ-UHFFFAOYSA-N
XLogP2.70
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile
CID 135267198
7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676589
7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 135341277
4-amino-2-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanylpyrimidine-5-carbonitrile
CID 94797218
2-[(4-amino-2-fluorophenyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64767748
6-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118813552
2-[3-cyano-5-(difluoromethoxy)-2-sulfanylphenyl]acetic acid
CID 134640446
2-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64770255
2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8967517
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzonitrile
CID 103759983
2-[2-cyano-4-(difluoromethoxy)-6-ethylphenyl]acetic acid
CID 135742926
ethyl 2-[2-chloro-3-cyano-5-(difluoromethoxy)phenyl]acetate
CID 134653060

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile?
The IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile (CID 130378565) is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile.
What is the SMILES notation for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile?
The canonical SMILES for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile is N#Cc1ccc(OC(F)F)cc1CSc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile?
The InChIKey is CWZOVESGIZLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6OS/c15-14(16)23-9-2-1-7(5-17)8(3-9)6-24-10-4-11(18)19-13-12(10)20-22-21-13/h1-4,14H,6H2,(H3,18,19,20,21,22).
What are the key properties of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile?
2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile has a molecular weight of 348.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile is sourced from PubChem (CID 130378565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).