(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol

C16H19N5O2S — CID 126496368

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol
SMILESCOc1cc(CNC(O)c2sc3nnc(C)c(C)c3c2N)ccn1
InChIInChI=1S/C16H19N5O2S/c1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3/h4-6,15,19,22H,7,17H2,1-3H3
InChIKeyNJDNRGNKPORUQK-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.07
Rot. Bonds5

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol (PubChem CID 126496368) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol
PubChem CID126496368
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol
SMILESCOc1cc(CNC(O)c2sc3nnc(C)c(C)c3c2N)ccn1
InChIInChI=1S/C16H19N5O2S/c1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3/h4-6,15,19,22H,7,17H2,1-3H3
InChIKeyNJDNRGNKPORUQK-UHFFFAOYSA-N
XLogP2.07
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol with MolForge

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Related Compounds

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol
CID 126496342
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-methoxyphenyl)methylamino]azetidin-1-yl]methanol
CID 126496341
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol (CID 126496368) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol is COc1cc(CNC(O)c2sc3nnc(C)c(C)c3c2N)ccn1.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol?
The InChIKey is NJDNRGNKPORUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3/h4-6,15,19,22H,7,17H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol has a molecular weight of 345.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2-methoxy-4-pyridinyl)methylamino]methanol is sourced from PubChem (CID 126496368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).