6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine

C14H12N6S — CID 2747912

IUPAC6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine
SMILESc1ccc(N2CSc3nnc(-c4cccnc4)n3C2)nc1
InChIInChI=1S/C14H12N6S/c1-2-7-16-12(5-1)19-9-20-13(11-4-3-6-15-8-11)17-18-14(20)21-10-19/h1-8H,9-10H2
InChIKeyCZFPERHNZQVIMH-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.26
Rot. Bonds2

About 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine

6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine (PubChem CID 2747912) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine.

Molecular Properties

Compound Name6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine
PubChem CID2747912
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine
SMILESc1ccc(N2CSc3nnc(-c4cccnc4)n3C2)nc1
InChIInChI=1S/C14H12N6S/c1-2-7-16-12(5-1)19-9-20-13(11-4-3-6-15-8-11)17-18-14(20)21-10-19/h1-8H,9-10H2
InChIKeyCZFPERHNZQVIMH-UHFFFAOYSA-N
XLogP2.26
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine with MolForge

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Related Compounds

6-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazin-6-ium
CID 7052244
1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
CID 22639462
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 97260385
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110753947
(6R)-3-pyridin-3-yl-6-(1,3-thiazol-2-ylsulfanylmethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 97260402
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine?
The IUPAC name of 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine (CID 2747912) is 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine.
What is the SMILES notation for 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine?
The canonical SMILES for 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine is c1ccc(N2CSc3nnc(-c4cccnc4)n3C2)nc1.
What is the InChIKey of 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine?
The InChIKey is CZFPERHNZQVIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-2-7-16-12(5-1)19-9-20-13(11-4-3-6-15-8-11)17-18-14(20)21-10-19/h1-8H,9-10H2.
What are the key properties of 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine?
6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine has a molecular weight of 296.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine is sourced from PubChem (CID 2747912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).