5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide

C11H14N4O4S — CID 107855028

IUPAC5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC(CO)(CO)CO)sc2nnccc12
InChIInChI=1S/C11H14N4O4S/c12-7-6-1-2-13-15-10(6)20-8(7)9(19)14-11(3-16,4-17)5-18/h1-2,16-18H,3-5,12H2,(H,14,19)
InChIKeyRTIFSPFALSGXGF-UHFFFAOYSA-N
MW298.32 g/mol
LogP-1.28
Rot. Bonds5

About 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 107855028) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID107855028
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC(CO)(CO)CO)sc2nnccc12
InChIInChI=1S/C11H14N4O4S/c12-7-6-1-2-13-15-10(6)20-8(7)9(19)14-11(3-16,4-17)5-18/h1-2,16-18H,3-5,12H2,(H,14,19)
InChIKeyRTIFSPFALSGXGF-UHFFFAOYSA-N
XLogP-1.28
TPSA141.59 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514678
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
5-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 106311385
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519255

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide (CID 107855028) is 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)NC(CO)(CO)CO)sc2nnccc12.
What is the InChIKey of 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is RTIFSPFALSGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c12-7-6-1-2-13-15-10(6)20-8(7)9(19)14-11(3-16,4-17)5-18/h1-2,16-18H,3-5,12H2,(H,14,19).
What are the key properties of 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 298.32 g/mol, XLogP of -1.28, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 107855028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).