7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid

C15H22BrN5O2 — CID 175026484

IUPAC7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid
SMILESCC(C)(C)c1ncc2ncc(Br)n2n1.O=C(O)NC1CCCC1
InChIInChI=1S/C9H11BrN4.C6H11NO2/c1-9(2,3)8-12-5-7-11-4-6(10)14(7)13-8;8-6(9)7-5-3-1-2-4-5/h4-5H,1-3H3;5,7H,1-4H2,(H,8,9)
InChIKeyZXONLKABSHCODE-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.38
Rot. Bonds1

About 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid

7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid (PubChem CID 175026484) 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;cyclopentylcarbamic acid.

Molecular Properties

Compound Name7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid
PubChem CID175026484
Molecular FormulaC15H22BrN5O2
Molecular Weight384.28 g/mol
Exact Mass383.10
IUPAC Name7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid
SMILESCC(C)(C)c1ncc2ncc(Br)n2n1.O=C(O)NC1CCCC1
InChIInChI=1S/C9H11BrN4.C6H11NO2/c1-9(2,3)8-12-5-7-11-4-6(10)14(7)13-8;8-6(9)7-5-3-1-2-4-5/h4-5H,1-3H3;5,7H,1-4H2,(H,8,9)
InChIKeyZXONLKABSHCODE-UHFFFAOYSA-N
XLogP3.38
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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;cyclopentylcarbamic acid?
The IUPAC name of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid (CID 175026484) is 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid.
What is the SMILES notation for 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid?
The canonical SMILES for 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid is CC(C)(C)c1ncc2ncc(Br)n2n1.O=C(O)NC1CCCC1.
What is the InChIKey of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid?
The InChIKey is ZXONLKABSHCODE-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;8-6(9)7-5-3-1-2-4-5/h4-5H,1-3H3;5,7H,1-4H2,(H,8,9).
What are the key properties of 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid?
7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid has a molecular weight of 384.28 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-tert-butylimidazo[2,1-f][1,2,4]triazine;cyclopentylcarbamic acid is sourced from PubChem (CID 175026484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).