2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol

C16H21N5O — CID 137045971

IUPAC2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol
SMILESCC1CCCN(c2cc(-c3ccccc3O)nnc2N)NC1
InChIInChI=1S/C16H21N5O/c1-11-5-4-8-21(18-10-11)14-9-13(19-20-16(14)17)12-6-2-3-7-15(12)22/h2-3,6-7,9,11,18,22H,4-5,8,10H2,1H3,(H2,17,20)
InChIKeyZINCYHZUAQEGBT-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.17
Rot. Bonds2

About 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol (PubChem CID 137045971) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol
PubChem CID137045971
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol
SMILESCC1CCCN(c2cc(-c3ccccc3O)nnc2N)NC1
InChIInChI=1S/C16H21N5O/c1-11-5-4-8-21(18-10-11)14-9-13(19-20-16(14)17)12-6-2-3-7-15(12)22/h2-3,6-7,9,11,18,22H,4-5,8,10H2,1H3,(H2,17,20)
InChIKeyZINCYHZUAQEGBT-UHFFFAOYSA-N
XLogP2.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
CID 137291772
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
1-[(2R,6R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 137029449
2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
CID 174366750
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol (CID 137045971) is 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol is CC1CCCN(c2cc(-c3ccccc3O)nnc2N)NC1.
What is the InChIKey of 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol?
The InChIKey is ZINCYHZUAQEGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-5-4-8-21(18-10-11)14-9-13(19-20-16(14)17)12-6-2-3-7-15(12)22/h2-3,6-7,9,11,18,22H,4-5,8,10H2,1H3,(H2,17,20).
What are the key properties of 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol has a molecular weight of 299.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137045971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).