2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol

C16H20N4O2 — CID 170157128

IUPAC2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol
SMILESCc1cnc(-c2nnc(NC3CC(C)(O)C3)cc2C)c(O)c1
InChIInChI=1S/C16H20N4O2/c1-9-4-12(21)15(17-8-9)14-10(2)5-13(19-20-14)18-11-6-16(3,22)7-11/h4-5,8,11,21-22H,6-7H2,1-3H3,(H,18,19)
InChIKeyYHWBGEOHPUZAQE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.19
Rot. Bonds3

About 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol

2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol (PubChem CID 170157128) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol
PubChem CID170157128
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol
SMILESCc1cnc(-c2nnc(NC3CC(C)(O)C3)cc2C)c(O)c1
InChIInChI=1S/C16H20N4O2/c1-9-4-12(21)15(17-8-9)14-10(2)5-13(19-20-14)18-11-6-16(3,22)7-11/h4-5,8,11,21-22H,6-7H2,1-3H3,(H,18,19)
InChIKeyYHWBGEOHPUZAQE-UHFFFAOYSA-N
XLogP2.19
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol?
The IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol (CID 170157128) is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol.
What is the SMILES notation for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol?
The canonical SMILES for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol is Cc1cnc(-c2nnc(NC3CC(C)(O)C3)cc2C)c(O)c1.
What is the InChIKey of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol?
The InChIKey is YHWBGEOHPUZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-4-12(21)15(17-8-9)14-10(2)5-13(19-20-14)18-11-6-16(3,22)7-11/h4-5,8,11,21-22H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol?
2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol has a molecular weight of 300.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol is sourced from PubChem (CID 170157128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).