2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol

C13H15N5O — CID 18977099

IUPAC2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol
SMILESCc1nnnn1Cc1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C13H15N5O/c1-9-15-16-17-18(9)8-10-2-3-13-12(6-10)11(4-5-19)7-14-13/h2-3,6-7,14,19H,4-5,8H2,1H3
InChIKeyNXHNKOITNNWFEY-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.05
Rot. Bonds4

About 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol

2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol (PubChem CID 18977099) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol
PubChem CID18977099
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol
SMILESCc1nnnn1Cc1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C13H15N5O/c1-9-15-16-17-18(9)8-10-2-3-13-12(6-10)11(4-5-19)7-14-13/h2-3,6-7,14,19H,4-5,8H2,1H3
InChIKeyNXHNKOITNNWFEY-UHFFFAOYSA-N
XLogP1.05
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10106373
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 70273448
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
bis(N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine);oxalic acid;hydrate
CID 67698373

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol (CID 18977099) is 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol is Cc1nnnn1Cc1ccc2[nH]cc(CCO)c2c1.
What is the InChIKey of 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol?
The InChIKey is NXHNKOITNNWFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-15-16-17-18(9)8-10-2-3-13-12(6-10)11(4-5-19)7-14-13/h2-3,6-7,14,19H,4-5,8H2,1H3.
What are the key properties of 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol?
2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol has a molecular weight of 257.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol is sourced from PubChem (CID 18977099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).