3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine

C12H10N12S2 — CID 136738261

IUPAC3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
SMILESNc1nc2c(/N=N/c3nccs3)c(N)nn2c(N)c1/N=N/c1nccs1
InChIInChI=1S/C12H10N12S2/c13-7-5(19-21-11-16-1-3-25-11)9(15)24-10(18-7)6(8(14)23-24)20-22-12-17-2-4-26-12/h1-4H,15H2,(H2,13,18)(H2,14,23)/b21-19+,22-20+
InChIKeyXFGFOFCLXHZRHB-FLFKKZLDSA-N
MW386.43 g/mol
LogP3.22
Rot. Bonds4

About 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine

3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine (PubChem CID 136738261) has the molecular formula C12H10N12S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
PubChem CID136738261
Molecular FormulaC12H10N12S2
Molecular Weight386.43 g/mol
Exact Mass386.06
IUPAC Name3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
SMILESNc1nc2c(/N=N/c3nccs3)c(N)nn2c(N)c1/N=N/c1nccs1
InChIInChI=1S/C12H10N12S2/c13-7-5(19-21-11-16-1-3-25-11)9(15)24-10(18-7)6(8(14)23-24)20-22-12-17-2-4-26-12/h1-4H,15H2,(H2,13,18)(H2,14,23)/b21-19+,22-20+
InChIKeyXFGFOFCLXHZRHB-FLFKKZLDSA-N
XLogP3.22
TPSA183.47 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70682561
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 53250649
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257996
US11786528, Example 33
CID 146268707
6-(1,3-Thiazol-2-yldiazenyl)-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-diamine
CID 139232329
3-(1,3-Thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
CID 139233943
2,7-Diamino-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 139233949
5-Amino-3-(2-hydroxyethyl)-1-methyl-8-(1,3-thiazol-2-yl)-[1,2,4]triazolo[5,1-f]purin-2-one
CID 66828197
2-[1-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
CID 67122178
2-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 67255471
4-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 67256532
5-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 67256809

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
The IUPAC name of 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine (CID 136738261) is 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
The canonical SMILES for 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine is Nc1nc2c(/N=N/c3nccs3)c(N)nn2c(N)c1/N=N/c1nccs1.
What is the InChIKey of 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
The InChIKey is XFGFOFCLXHZRHB-FLFKKZLDSA-N. The full InChI is InChI=1S/C12H10N12S2/c13-7-5(19-21-11-16-1-3-25-11)9(15)24-10(18-7)6(8(14)23-24)20-22-12-17-2-4-26-12/h1-4H,15H2,(H2,13,18)(H2,14,23)/b21-19+,22-20+.
What are the key properties of 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine?
3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine has a molecular weight of 386.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 136738261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).