1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium

C18H19N6OS+ — CID 142265244

IUPAC1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium
SMILESc1cc2nc(NCC3CCCO3)nc([NH2+]c3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C18H18N6OS/c1-2-13(25-6-1)10-19-18-22-15-5-7-26-16(15)17(23-18)21-12-3-4-14-11(8-12)9-20-24-14/h3-5,7-9,13H,1-2,6,10H2,(H,20,24)(H2,19,21,22,23)/p+1
InChIKeyKQTXKBCQYMSBRK-UHFFFAOYSA-O
MW367.46 g/mol
LogP2.69
Rot. Bonds5

About 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium

1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium (PubChem CID 142265244) has the molecular formula C18H19N6OS+ and a molecular weight of 367.46 g/mol. Its IUPAC name is 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium.

Molecular Properties

Compound Name1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium
PubChem CID142265244
Molecular FormulaC18H19N6OS+
Molecular Weight367.46 g/mol
Exact Mass367.13
IUPAC Name1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium
SMILESc1cc2nc(NCC3CCCO3)nc([NH2+]c3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C18H18N6OS/c1-2-13(25-6-1)10-19-18-22-15-5-7-26-16(15)17(23-18)21-12-3-4-14-11(8-12)9-20-24-14/h3-5,7-9,13H,1-2,6,10H2,(H,20,24)(H2,19,21,22,23)/p+1
InChIKeyKQTXKBCQYMSBRK-UHFFFAOYSA-O
XLogP2.69
TPSA92.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium?
The IUPAC name of 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium (CID 142265244) is 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium.
What is the SMILES notation for 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium?
The canonical SMILES for 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium is c1cc2nc(NCC3CCCO3)nc([NH2+]c3ccc4[nH]ncc4c3)c2s1.
What is the InChIKey of 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium?
The InChIKey is KQTXKBCQYMSBRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N6OS/c1-2-13(25-6-1)10-19-18-22-15-5-7-26-16(15)17(23-18)21-12-3-4-14-11(8-12)9-20-24-14/h3-5,7-9,13H,1-2,6,10H2,(H,20,24)(H2,19,21,22,23)/p+1.
What are the key properties of 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium?
1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium has a molecular weight of 367.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl-[2-(oxolan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]azanium is sourced from PubChem (CID 142265244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).