8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

C9H14N4O — CID 13374661

IUPAC8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCC(C)c1nnc2n(c1=O)CCN2C
InChIInChI=1S/C9H14N4O/c1-6(2)7-8(14)13-5-4-12(3)9(13)11-10-7/h6H,4-5H2,1-3H3
InChIKeyFSCKOSIXOTYENJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.21
Rot. Bonds1

About 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 13374661) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID13374661
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCC(C)c1nnc2n(c1=O)CCN2C
InChIInChI=1S/C9H14N4O/c1-6(2)7-8(14)13-5-4-12(3)9(13)11-10-7/h6H,4-5H2,1-3H3
InChIKeyFSCKOSIXOTYENJ-UHFFFAOYSA-N
XLogP0.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 13374661) is 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is CC(C)c1nnc2n(c1=O)CCN2C.
What is the InChIKey of 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is FSCKOSIXOTYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)7-8(14)13-5-4-12(3)9(13)11-10-7/h6H,4-5H2,1-3H3.
What are the key properties of 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 194.24 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propan-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 13374661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).