7-butylimidazo[2,1-f][1,2,4]triazin-4-amine

C9H13N5 — CID 130426168

IUPAC7-butylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCCc1cnc2c(N)ncnn12
InChIInChI=1S/C9H13N5/c1-2-3-4-7-5-11-9-8(10)12-6-13-14(7)9/h5-6H,2-4H2,1H3,(H2,10,12,13)
InChIKeyRBKKTERPYMJNJK-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.05
Rot. Bonds3

About 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine

7-butylimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130426168) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-butylimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130426168
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name7-butylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCCc1cnc2c(N)ncnn12
InChIInChI=1S/C9H13N5/c1-2-3-4-7-5-11-9-8(10)12-6-13-14(7)9/h5-6H,2-4H2,1H3,(H2,10,12,13)
InChIKeyRBKKTERPYMJNJK-UHFFFAOYSA-N
XLogP1.05
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine (CID 130426168) is 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine is CCCCc1cnc2c(N)ncnn12.
What is the InChIKey of 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RBKKTERPYMJNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-3-4-7-5-11-9-8(10)12-6-13-14(7)9/h5-6H,2-4H2,1H3,(H2,10,12,13).
What are the key properties of 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine?
7-butylimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 191.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130426168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).