2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C13H22N4O — CID 80560605

IUPAC2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNC1CC(NC2CCCc3c2cnn3CCO)C1
InChIInChI=1S/C13H22N4O/c14-9-6-10(7-9)16-12-2-1-3-13-11(12)8-15-17(13)4-5-18/h8-10,12,16,18H,1-7,14H2
InChIKeyHUZGDVMJFNKQHH-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.33
Rot. Bonds4

About 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 80560605) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID80560605
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESNC1CC(NC2CCCc3c2cnn3CCO)C1
InChIInChI=1S/C13H22N4O/c14-9-6-10(7-9)16-12-2-1-3-13-11(12)8-15-17(13)4-5-18/h8-10,12,16,18H,1-7,14H2
InChIKeyHUZGDVMJFNKQHH-UHFFFAOYSA-N
XLogP0.33
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 81329080
2-[4-(thian-3-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 62873461
2-[4-[(1,1-dioxothiolan-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63162906
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 75370275
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid
CID 43697511
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779
2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80554278

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 80560605) is 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is NC1CC(NC2CCCc3c2cnn3CCO)C1.
What is the InChIKey of 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is HUZGDVMJFNKQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-9-6-10(7-9)16-12-2-1-3-13-11(12)8-15-17(13)4-5-18/h8-10,12,16,18H,1-7,14H2.
What are the key properties of 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 250.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 80560605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).