2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol

C10H11N5O — CID 83887499

IUPAC2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol
SMILESNC(CO)c1c2ccccc2n2[nH]nnc12
InChIInChI=1S/C10H11N5O/c11-7(5-16)9-6-3-1-2-4-8(6)15-10(9)12-13-14-15/h1-4,7,16H,5,11H2,(H,12,14)
InChIKeyPZMBPMJABXIYGU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.20
Rot. Bonds2

About 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol

2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol (PubChem CID 83887499) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol
PubChem CID83887499
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol
SMILESNC(CO)c1c2ccccc2n2[nH]nnc12
InChIInChI=1S/C10H11N5O/c11-7(5-16)9-6-3-1-2-4-8(6)15-10(9)12-13-14-15/h1-4,7,16H,5,11H2,(H,12,14)
InChIKeyPZMBPMJABXIYGU-UHFFFAOYSA-N
XLogP0.20
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine
CID 83886692
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CID 83886975
(2S)-2-amino-2-anthracen-9-ylethanol
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CID 82604101
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CID 77129792
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CID 66513524
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
2-amino-3-carbazol-9-ylpropan-1-ol
CID 64810076
5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
CID 6412019
2-amino-2-(1-methylindol-2-yl)ethanol
CID 55270563
2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
CID 139983141
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol (CID 83887499) is 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol is NC(CO)c1c2ccccc2n2[nH]nnc12.
What is the InChIKey of 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol?
The InChIKey is PZMBPMJABXIYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-7(5-16)9-6-3-1-2-4-8(6)15-10(9)12-13-14-15/h1-4,7,16H,5,11H2,(H,12,14).
What are the key properties of 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol?
2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol has a molecular weight of 217.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol is sourced from PubChem (CID 83887499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).