5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H24N6O — CID 79665484

IUPAC5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(Cc1cc(=O)n2[nH]cnc2n1)CC(C)(C)CN
InChIInChI=1S/C14H24N6O/c1-4-5-19(9-14(2,3)8-15)7-11-6-12(21)20-13(18-11)16-10-17-20/h6,10H,4-5,7-9,15H2,1-3H3,(H,16,17,18)
InChIKeyRTUFKFCTSNOZAU-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.61
Rot. Bonds7

About 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 79665484) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID79665484
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN(Cc1cc(=O)n2[nH]cnc2n1)CC(C)(C)CN
InChIInChI=1S/C14H24N6O/c1-4-5-19(9-14(2,3)8-15)7-11-6-12(21)20-13(18-11)16-10-17-20/h6,10H,4-5,7-9,15H2,1-3H3,(H,16,17,18)
InChIKeyRTUFKFCTSNOZAU-UHFFFAOYSA-N
XLogP0.61
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 79665484) is 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCN(Cc1cc(=O)n2[nH]cnc2n1)CC(C)(C)CN.
What is the InChIKey of 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RTUFKFCTSNOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-4-5-19(9-14(2,3)8-15)7-11-6-12(21)20-13(18-11)16-10-17-20/h6,10H,4-5,7-9,15H2,1-3H3,(H,16,17,18).
What are the key properties of 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 292.39 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 79665484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).