(1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol

C18H20N4OS — CID 123874284

IUPAC(1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol
SMILESNc1c(C(O)NCc2ccccc2)sc2nnc3c(c12)CCCC3
InChIInChI=1S/C18H20N4OS/c19-15-14-12-8-4-5-9-13(12)21-22-18(14)24-16(15)17(23)20-10-11-6-2-1-3-7-11/h1-3,6-7,17,20,23H,4-5,8-10,19H2
InChIKeyCCAMMKBBSQPVPU-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.93
Rot. Bonds4

About (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol

(1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol (PubChem CID 123874284) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol.

Molecular Properties

Compound Name(1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol
PubChem CID123874284
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol
SMILESNc1c(C(O)NCc2ccccc2)sc2nnc3c(c12)CCCC3
InChIInChI=1S/C18H20N4OS/c19-15-14-12-8-4-5-9-13(12)21-22-18(14)24-16(15)17(23)20-10-11-6-2-1-3-7-11/h1-3,6-7,17,20,23H,4-5,8-10,19H2
InChIKeyCCAMMKBBSQPVPU-UHFFFAOYSA-N
XLogP2.93
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol
CID 155542543
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-phenylmethanol
CID 155552902
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol
CID 126496315
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2,3-difluorophenyl)methylamino]methanol
CID 126496322
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[4-(2,6-difluoro-3-pyridinyl)phenyl]methylamino]methanol
CID 126496348
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[4-(difluoromethylsulfonyl)phenyl]methylamino]methanol
CID 126496370
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-fluorophenyl)azetidin-1-yl]methanol
CID 126496376
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[4-(difluoromethylsulfinyl)phenyl]methylamino]methanol
CID 126496393
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-chlorophenyl)-3-fluoroazetidin-1-yl]methanol
CID 126496421
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]methanol
CID 126496510
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]methanol
CID 126496522
2-[4-[[[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]amino]methyl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 132063850

Frequently Asked Questions

What is the IUPAC name of (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol?
The IUPAC name of (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol (CID 123874284) is (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol.
What is the SMILES notation for (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol?
The canonical SMILES for (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol is Nc1c(C(O)NCc2ccccc2)sc2nnc3c(c12)CCCC3.
What is the InChIKey of (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol?
The InChIKey is CCAMMKBBSQPVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c19-15-14-12-8-4-5-9-13(12)21-22-18(14)24-16(15)17(23)20-10-11-6-2-1-3-7-11/h1-3,6-7,17,20,23H,4-5,8-10,19H2.
What are the key properties of (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol?
(1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol has a molecular weight of 340.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol is sourced from PubChem (CID 123874284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).