5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H23N5O — CID 91830601

IUPAC5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(Cc1cc(=O)n2[nH]cnc2n1)CC1(c2ccccc2)CC1(C)C
InChIInChI=1S/C19H23N5O/c1-18(2)11-19(18,14-7-5-4-6-8-14)12-23(3)10-15-9-16(25)24-17(22-15)20-13-21-24/h4-9,13H,10-12H2,1-3H3,(H,20,21,22)
InChIKeyWBYUYBYZDQPWSY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.22
Rot. Bonds5

About 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 91830601) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID91830601
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(Cc1cc(=O)n2[nH]cnc2n1)CC1(c2ccccc2)CC1(C)C
InChIInChI=1S/C19H23N5O/c1-18(2)11-19(18,14-7-5-4-6-8-14)12-23(3)10-15-9-16(25)24-17(22-15)20-13-21-24/h4-9,13H,10-12H2,1-3H3,(H,20,21,22)
InChIKeyWBYUYBYZDQPWSY-UHFFFAOYSA-N
XLogP2.22
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 91830601) is 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CN(Cc1cc(=O)n2[nH]cnc2n1)CC1(c2ccccc2)CC1(C)C.
What is the InChIKey of 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WBYUYBYZDQPWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-18(2)11-19(18,14-7-5-4-6-8-14)12-23(3)10-15-9-16(25)24-17(22-15)20-13-21-24/h4-9,13H,10-12H2,1-3H3,(H,20,21,22).
What are the key properties of 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91830601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).