4-amino-1-(1H-indazol-6-yl)butane-1,2-diol

C11H15N3O2 — CID 171881419

IUPAC4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3O2/c12-4-3-10(15)11(16)7-1-2-8-6-13-14-9(8)5-7/h1-2,5-6,10-11,15-16H,3-4,12H2,(H,13,14)
InChIKeyVKJXCIMBGHXAES-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds4

About 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol

4-amino-1-(1H-indazol-6-yl)butane-1,2-diol (PubChem CID 171881419) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
PubChem CID171881419
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3O2/c12-4-3-10(15)11(16)7-1-2-8-6-13-14-9(8)5-7/h1-2,5-6,10-11,15-16H,3-4,12H2,(H,13,14)
InChIKeyVKJXCIMBGHXAES-UHFFFAOYSA-N
XLogP0.31
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
3-azido-1-(1H-indazol-6-yl)propane-1,2-diol
CID 170826184
1-(1H-indazol-5-yl)propane-1,3-diamine
CID 22934094
4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol
CID 171881402
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
4-amino-1-(4-amino-3-hydroxyphenyl)butane-1,2-diol
CID 171881025
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170826176
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol
CID 171881465

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol (CID 171881419) is 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol is NCCC(O)C(O)c1ccc2cn[nH]c2c1.
What is the InChIKey of 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol?
The InChIKey is VKJXCIMBGHXAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-4-3-10(15)11(16)7-1-2-8-6-13-14-9(8)5-7/h1-2,5-6,10-11,15-16H,3-4,12H2,(H,13,14).
What are the key properties of 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol?
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol has a molecular weight of 221.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1H-indazol-6-yl)butane-1,2-diol is sourced from PubChem (CID 171881419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).