2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine

C11H13N5 — CID 83886692

IUPAC2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine
SMILESCC(CN)c1c2ccccc2n2[nH]nnc12
InChIInChI=1S/C11H13N5/c1-7(6-12)10-8-4-2-3-5-9(8)16-11(10)13-14-15-16/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKeyYFIZQBMFCHELDM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.27
Rot. Bonds2

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

2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine (PubChem CID 83886692) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine
PubChem CID83886692
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine
SMILESCC(CN)c1c2ccccc2n2[nH]nnc12
InChIInChI=1S/C11H13N5/c1-7(6-12)10-8-4-2-3-5-9(8)16-11(10)13-14-15-16/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKeyYFIZQBMFCHELDM-UHFFFAOYSA-N
XLogP1.27
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1H-tetrazolo[1,5-a]indol-4-yl)ethanol
CID 83887499
2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol
CID 170894895
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
3-(benzotriazol-1-yl)-2-methylpropan-1-amine
CID 62448363
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579

Frequently Asked Questions

What is the IUPAC name of 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine?
The IUPAC name of 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine (CID 83886692) is 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine?
The canonical SMILES for 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine is CC(CN)c1c2ccccc2n2[nH]nnc12.
What is the InChIKey of 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine?
The InChIKey is YFIZQBMFCHELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7(6-12)10-8-4-2-3-5-9(8)16-11(10)13-14-15-16/h2-5,7H,6,12H2,1H3,(H,13,15).
What are the key properties of 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine?
2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine has a molecular weight of 215.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine is sourced from PubChem (CID 83886692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).