2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one

C9H12N4O — CID 158000206

IUPAC2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2c(C(C)C)cnc2c(=O)[nH]1
InChIInChI=1S/C9H12N4O/c1-5(2)7-4-10-8-9(14)11-6(3)12-13(7)8/h4-5H,1-3H3,(H,11,12,14)
InChIKeyFDQIUNLXZAWFSG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds1

About 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one

2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 158000206) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID158000206
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2c(C(C)C)cnc2c(=O)[nH]1
InChIInChI=1S/C9H12N4O/c1-5(2)7-4-10-8-9(14)11-6(3)12-13(7)8/h4-5H,1-3H3,(H,11,12,14)
InChIKeyFDQIUNLXZAWFSG-UHFFFAOYSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one (CID 158000206) is 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one is Cc1nn2c(C(C)C)cnc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is FDQIUNLXZAWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5(2)7-4-10-8-9(14)11-6(3)12-13(7)8/h4-5H,1-3H3,(H,11,12,14).
What are the key properties of 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one?
2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 158000206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).