1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C17H25N5O2S — CID 70560397

IUPAC1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1CSc1ccc(NN)nn1
InChIInChI=1S/C17H25N5O2S/c1-12(2)19-9-14(23)10-24-15-6-4-3-5-13(15)11-25-17-8-7-16(20-18)21-22-17/h3-8,12,14,19,23H,9-11,18H2,1-2H3,(H,20,21)
InChIKeyNKBITIFRGWGMCQ-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.79
Rot. Bonds10

About 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 70560397) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID70560397
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1CSc1ccc(NN)nn1
InChIInChI=1S/C17H25N5O2S/c1-12(2)19-9-14(23)10-24-15-6-4-3-5-13(15)11-25-17-8-7-16(20-18)21-22-17/h3-8,12,14,19,23H,9-11,18H2,1-2H3,(H,20,21)
InChIKeyNKBITIFRGWGMCQ-UHFFFAOYSA-N
XLogP1.79
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
CID 10023248
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
1-(2-chloro-3-methylphenoxy)-3-[1-(6-hydrazinylpyridazin-3-yl)oxypropan-2-ylamino]propan-2-ol;hydrochloride
CID 70466859
(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 92836389
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 70560397) is 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccccc1CSc1ccc(NN)nn1.
What is the InChIKey of 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is NKBITIFRGWGMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12(2)19-9-14(23)10-24-15-6-4-3-5-13(15)11-25-17-8-7-16(20-18)21-22-17/h3-8,12,14,19,23H,9-11,18H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 363.49 g/mol, XLogP of 1.79, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 70560397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).