5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile

C14H11N7S — CID 133492994

IUPAC5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccn1
InChIInChI=1S/C14H11N7S/c1-2-21-13(11-5-3-4-6-16-11)19-20-14(21)22-12-9-17-10(7-15)8-18-12/h3-6,8-9H,2H2,1H3
InChIKeyYFENBLZREOGNKF-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.17
Rot. Bonds4

About 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile

5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 133492994) has the molecular formula C14H11N7S and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID133492994
Molecular FormulaC14H11N7S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccn1
InChIInChI=1S/C14H11N7S/c1-2-21-13(11-5-3-4-6-16-11)19-20-14(21)22-12-9-17-10(7-15)8-18-12/h3-6,8-9H,2H2,1H3
InChIKeyYFENBLZREOGNKF-UHFFFAOYSA-N
XLogP2.17
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

5-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 133492984
2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404746
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 126122361
5-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 133492975
2-[4-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 938037
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 71006004
5-[[4-(4-chlorophenyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
CID 133492953
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 104603094
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 112770648
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
silver;bis(5-pyridin-2-ylpyrazine-2-carbonitrile);hexafluorophosphate
CID 139082710
anilino-[1-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopentyl]methanol
CID 146617046

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile (CID 133492994) is 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile is CCn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccn1.
What is the InChIKey of 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is YFENBLZREOGNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S/c1-2-21-13(11-5-3-4-6-16-11)19-20-14(21)22-12-9-17-10(7-15)8-18-12/h3-6,8-9H,2H2,1H3.
What are the key properties of 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 309.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133492994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).