2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole

C13H17N5 — CID 126822449

IUPAC2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole
SMILESCn1nnc(CN2c3ccccc3CC2(C)C)n1
InChIInChI=1S/C13H17N5/c1-13(2)8-10-6-4-5-7-11(10)18(13)9-12-14-16-17(3)15-12/h4-7H,8-9H2,1-3H3
InChIKeyHMZGSRJSVOJLLK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.55
Rot. Bonds2

About 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole

2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole (PubChem CID 126822449) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole
PubChem CID126822449
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole
SMILESCn1nnc(CN2c3ccccc3CC2(C)C)n1
InChIInChI=1S/C13H17N5/c1-13(2)8-10-6-4-5-7-11(10)18(13)9-12-14-16-17(3)15-12/h4-7H,8-9H2,1-3H3
InChIKeyHMZGSRJSVOJLLK-UHFFFAOYSA-N
XLogP1.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole?
The IUPAC name of 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole (CID 126822449) is 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole.
What is the SMILES notation for 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole?
The canonical SMILES for 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole is Cn1nnc(CN2c3ccccc3CC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole?
The InChIKey is HMZGSRJSVOJLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-13(2)8-10-6-4-5-7-11(10)18(13)9-12-14-16-17(3)15-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole?
2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole has a molecular weight of 243.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-3H-indole is sourced from PubChem (CID 126822449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).