7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate

C15H22BrN5O2 — CID 175025873

IUPAC7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate
SMILESCC(C)(C)c1ncc2ncc(Br)n2n1.NC(=O)OC1CCCC1
InChIInChI=1S/C9H11BrN4.C6H11NO2/c1-9(2,3)8-12-5-7-11-4-6(10)14(7)13-8;7-6(8)9-5-3-1-2-4-5/h4-5H,1-3H3;5H,1-4H2,(H2,7,8)
InChIKeyANEJUDYEQLVLIY-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.21
Rot. Bonds1

About 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate

7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate (PubChem CID 175025873) has the molecular formula C15H22BrN5O2 and a molecular weight of 384.28 g/mol. Its IUPAC name is 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate.

Molecular Properties

Compound Name7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate
PubChem CID175025873
Molecular FormulaC15H22BrN5O2
Molecular Weight384.28 g/mol
Exact Mass383.10
IUPAC Name7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate
SMILESCC(C)(C)c1ncc2ncc(Br)n2n1.NC(=O)OC1CCCC1
InChIInChI=1S/C9H11BrN4.C6H11NO2/c1-9(2,3)8-12-5-7-11-4-6(10)14(7)13-8;7-6(8)9-5-3-1-2-4-5/h4-5H,1-3H3;5H,1-4H2,(H2,7,8)
InChIKeyANEJUDYEQLVLIY-UHFFFAOYSA-N
XLogP3.21
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate?
The IUPAC name of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate (CID 175025873) is 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate.
What is the SMILES notation for 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate?
The canonical SMILES for 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate is CC(C)(C)c1ncc2ncc(Br)n2n1.NC(=O)OC1CCCC1.
What is the InChIKey of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate?
The InChIKey is ANEJUDYEQLVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4.C6H11NO2/c1-9(2,3)8-12-5-7-11-4-6(10)14(7)13-8;7-6(8)9-5-3-1-2-4-5/h4-5H,1-3H3;5H,1-4H2,(H2,7,8).
What are the key properties of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate?
7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate has a molecular weight of 384.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentyl carbamate is sourced from PubChem (CID 175025873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).