1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole

C14H15N5O — CID 91319296

IUPAC1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole
SMILESCCOc1cccc2c(-c3nn[nH]n3)cn(C3CC3)c12
InChIInChI=1S/C14H15N5O/c1-2-20-12-5-3-4-10-11(14-15-17-18-16-14)8-19(13(10)12)9-6-7-9/h3-5,8-9H,2,6-7H2,1H3,(H,15,16,17,18)
InChIKeyRCXMGKNBOVSQDM-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole

1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole (PubChem CID 91319296) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole
PubChem CID91319296
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole
SMILESCCOc1cccc2c(-c3nn[nH]n3)cn(C3CC3)c12
InChIInChI=1S/C14H15N5O/c1-2-20-12-5-3-4-10-11(14-15-17-18-16-14)8-19(13(10)12)9-6-7-9/h3-5,8-9H,2,6-7H2,1H3,(H,15,16,17,18)
InChIKeyRCXMGKNBOVSQDM-UHFFFAOYSA-N
XLogP2.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole?
The IUPAC name of 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole (CID 91319296) is 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole is CCOc1cccc2c(-c3nn[nH]n3)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole?
The InChIKey is RCXMGKNBOVSQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-20-12-5-3-4-10-11(14-15-17-18-16-14)8-19(13(10)12)9-6-7-9/h3-5,8-9H,2,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole?
1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole has a molecular weight of 269.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 91319296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).