5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

C16H20N8S — CID 70682561

IUPAC5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2C[C@@H]1CCN(Cc2nccs2)C1
InChIInChI=1S/C16H20N8S/c17-14-13-16(20-15(19-14)11-1-2-11)24(22-21-13)8-10-3-5-23(7-10)9-12-18-4-6-25-12/h4,6,10-11H,1-3,5,7-9H2,(H2,17,19,20)/t10-/m1/s1
InChIKeyDQAIWNYIUVKEPK-SNVBAGLBSA-N
MW356.46 g/mol
LogP1.66
Rot. Bonds5

About 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70682561) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70682561
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC Name5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C2CC2)nc2c1nnn2C[C@@H]1CCN(Cc2nccs2)C1
InChIInChI=1S/C16H20N8S/c17-14-13-16(20-15(19-14)11-1-2-11)24(22-21-13)8-10-3-5-23(7-10)9-12-18-4-6-25-12/h4,6,10-11H,1-3,5,7-9H2,(H2,17,19,20)/t10-/m1/s1
InChIKeyDQAIWNYIUVKEPK-SNVBAGLBSA-N
XLogP1.66
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-cyclopropyl-3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 52938638
5-Cyclopropyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70682560
5-Cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70688896
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
3,6-Bis(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
CID 136738261
9-(1,3-Thiazol-2-yl)purin-6-amine
CID 57204546
2-[(1S)-1-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 164632450
5-Cyclopropyl-3-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 52938639
2-[1-[(4R)-4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
CID 66979815
2-[1-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)imidazol-2-yl]-1,3-thiazole
CID 66979817
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 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70682561) is 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C2CC2)nc2c1nnn2C[C@@H]1CCN(Cc2nccs2)C1.
What is the InChIKey of 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DQAIWNYIUVKEPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N8S/c17-14-13-16(20-15(19-14)11-1-2-11)24(22-21-13)8-10-3-5-23(7-10)9-12-18-4-6-25-12/h4,6,10-11H,1-3,5,7-9H2,(H2,17,19,20)/t10-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 356.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70682561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).