(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide

C11H10N6O — CID 142632274

IUPAC(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESNC(=O)[C@H](c1nn[nH]n1)c1c[nH]c2ccccc12
InChIInChI=1S/C11H10N6O/c12-10(18)9(11-14-16-17-15-11)7-5-13-8-4-2-1-3-6(7)8/h1-5,9,13H,(H2,12,18)(H,14,15,16,17)/t9-/m1/s1
InChIKeyXXLMIBKGZQLHFO-SECBINFHSA-N
MW242.24 g/mol
LogP0.30
Rot. Bonds3

About (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide

(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 142632274) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID142632274
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide
SMILESNC(=O)[C@H](c1nn[nH]n1)c1c[nH]c2ccccc12
InChIInChI=1S/C11H10N6O/c12-10(18)9(11-14-16-17-15-11)7-5-13-8-4-2-1-3-6(7)8/h1-5,9,13H,(H2,12,18)(H,14,15,16,17)/t9-/m1/s1
InChIKeyXXLMIBKGZQLHFO-SECBINFHSA-N
XLogP0.30
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-3-methylphenyl)-2-(1H-indol-3-yl)acetamide
CID 91366447
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
(3S)-3-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 42553560
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
CID 18807557
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
2-(1H-indol-3-yl)butanedioic acid
CID 588708
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide (CID 142632274) is (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide is NC(=O)[C@H](c1nn[nH]n1)c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is XXLMIBKGZQLHFO-SECBINFHSA-N. The full InChI is InChI=1S/C11H10N6O/c12-10(18)9(11-14-16-17-15-11)7-5-13-8-4-2-1-3-6(7)8/h1-5,9,13H,(H2,12,18)(H,14,15,16,17)/t9-/m1/s1.
What are the key properties of (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide?
(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 142632274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).