7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C12H16BrN5 — CID 155252882

IUPAC7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Br)cc(CN3CCCCC3)c12
InChIInChI=1S/C12H16BrN5/c13-10-6-9(7-17-4-2-1-3-5-17)11-12(14)15-8-16-18(10)11/h6,8H,1-5,7H2,(H2,14,15,16)
InChIKeyADSZNZIHFKVMAV-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.06
Rot. Bonds2

About 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155252882) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155252882
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Br)cc(CN3CCCCC3)c12
InChIInChI=1S/C12H16BrN5/c13-10-6-9(7-17-4-2-1-3-5-17)11-12(14)15-8-16-18(10)11/h6,8H,1-5,7H2,(H2,14,15,16)
InChIKeyADSZNZIHFKVMAV-UHFFFAOYSA-N
XLogP2.06
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155252882) is 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(Br)cc(CN3CCCCC3)c12.
What is the InChIKey of 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ADSZNZIHFKVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c13-10-6-9(7-17-4-2-1-3-5-17)11-12(14)15-8-16-18(10)11/h6,8H,1-5,7H2,(H2,14,15,16).
What are the key properties of 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155252882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).