1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole

C16H18N4 — CID 57182951

IUPAC1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole
SMILESc1ccc2c(c1)ccn2CC(Cn1ccnn1)C1CC1
InChIInChI=1S/C16H18N4/c1-2-4-16-14(3-1)7-9-19(16)11-15(13-5-6-13)12-20-10-8-17-18-20/h1-4,7-10,13,15H,5-6,11-12H2
InChIKeyVWQDEAXLJSEJOM-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole

1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole (PubChem CID 57182951) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole.

Molecular Properties

Compound Name1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole
PubChem CID57182951
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole
SMILESc1ccc2c(c1)ccn2CC(Cn1ccnn1)C1CC1
InChIInChI=1S/C16H18N4/c1-2-4-16-14(3-1)7-9-19(16)11-15(13-5-6-13)12-20-10-8-17-18-20/h1-4,7-10,13,15H,5-6,11-12H2
InChIKeyVWQDEAXLJSEJOM-UHFFFAOYSA-N
XLogP2.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole?
The IUPAC name of 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole (CID 57182951) is 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole.
What is the SMILES notation for 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole?
The canonical SMILES for 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole is c1ccc2c(c1)ccn2CC(Cn1ccnn1)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole?
The InChIKey is VWQDEAXLJSEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-4-16-14(3-1)7-9-19(16)11-15(13-5-6-13)12-20-10-8-17-18-20/h1-4,7-10,13,15H,5-6,11-12H2.
What are the key properties of 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole?
1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole has a molecular weight of 266.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-3-(triazol-1-yl)propyl]indole is sourced from PubChem (CID 57182951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).