2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde

C17H18N4O2 — CID 137045901

IUPAC2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
SMILESNc1nnc(-c2ccccc2O)cc1C1=CC(CC=O)NCC1
InChIInChI=1S/C17H18N4O2/c18-17-14(11-5-7-19-12(9-11)6-8-22)10-15(20-21-17)13-3-1-2-4-16(13)23/h1-4,8-10,12,19,23H,5-7H2,(H2,18,21)
InChIKeyDVEMGFJEGLYVMQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde

2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde (PubChem CID 137045901) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
PubChem CID137045901
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde
SMILESNc1nnc(-c2ccccc2O)cc1C1=CC(CC=O)NCC1
InChIInChI=1S/C17H18N4O2/c18-17-14(11-5-7-19-12(9-11)6-8-22)10-15(20-21-17)13-3-1-2-4-16(13)23/h1-4,8-10,12,19,23H,5-7H2,(H2,18,21)
InChIKeyDVEMGFJEGLYVMQ-UHFFFAOYSA-N
XLogP1.77
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216
US10308614, Example 189
CID 137029365
US10308614, Example 213
CID 137029389
US10308614, Example 223
CID 137029397
US10308614, Example 229
CID 137029429
US10308614, Example 216
CID 137029440
US10308614, Example 214
CID 137029489
US10308614, Example 211
CID 137029491
2-(6-Amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl)phenol
CID 137029557
2-(6-amino-5-(pyrrolidin-3-yl)pyridazin-3-yl)phenol Hydrochloride
CID 137045888
3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide
CID 137045899
2-(6-Amino-5-cyclohexylpyridazin-3-yl)phenol
CID 137045919

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde (CID 137045901) is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The canonical SMILES for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde is Nc1nnc(-c2ccccc2O)cc1C1=CC(CC=O)NCC1.
What is the InChIKey of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
The InChIKey is DVEMGFJEGLYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-17-14(11-5-7-19-12(9-11)6-8-22)10-15(20-21-17)13-3-1-2-4-16(13)23/h1-4,8-10,12,19,23H,5-7H2,(H2,18,21).
What are the key properties of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde?
2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde has a molecular weight of 310.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,2,3,6-tetrahydropyridin-6-yl]acetaldehyde is sourced from PubChem (CID 137045901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).