2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol

C12H21N3O — CID 43254678

IUPAC2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H21N3O/c1-3-9(8-16)14-11-5-4-6-12-10(11)7-13-15(12)2/h7,9,11,14,16H,3-6,8H2,1-2H3
InChIKeySTINXIAJGZYESW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.16
Rot. Bonds4

About 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol

2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol (PubChem CID 43254678) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
PubChem CID43254678
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H21N3O/c1-3-9(8-16)14-11-5-4-6-12-10(11)7-13-15(12)2/h7,9,11,14,16H,3-6,8H2,1-2H3
InChIKeySTINXIAJGZYESW-UHFFFAOYSA-N
XLogP1.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 75480822
2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84717099
1-[2-(Cyclohexen-1-yl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53506177
1-[1-(2-Hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 53507923
1-(Cyclohexylmethyl)-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53519911
1-Cyclohexyl-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53523002

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol (CID 43254678) is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol is CCC(CO)NC1CCCc2c1cnn2C.
What is the InChIKey of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
The InChIKey is STINXIAJGZYESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9(8-16)14-11-5-4-6-12-10(11)7-13-15(12)2/h7,9,11,14,16H,3-6,8H2,1-2H3.
What are the key properties of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol?
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol is sourced from PubChem (CID 43254678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).