5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol

C18H20N4O2 — CID 175599317

IUPAC5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol
SMILESCC(O)CNc1nnc(-c2ccc(C3CC3)cc2O)c2cccn12
InChIInChI=1S/C18H20N4O2/c1-11(23)10-19-18-21-20-17(15-3-2-8-22(15)18)14-7-6-13(9-16(14)24)12-4-5-12/h2-3,6-9,11-12,23-24H,4-5,10H2,1H3,(H,19,21)
InChIKeyVSXFIPQGWUZIRH-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.77
Rot. Bonds5

About 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol

5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol (PubChem CID 175599317) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol
PubChem CID175599317
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol
SMILESCC(O)CNc1nnc(-c2ccc(C3CC3)cc2O)c2cccn12
InChIInChI=1S/C18H20N4O2/c1-11(23)10-19-18-21-20-17(15-3-2-8-22(15)18)14-7-6-13(9-16(14)24)12-4-5-12/h2-3,6-9,11-12,23-24H,4-5,10H2,1H3,(H,19,21)
InChIKeyVSXFIPQGWUZIRH-UHFFFAOYSA-N
XLogP2.77
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol?
The IUPAC name of 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol (CID 175599317) is 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol.
What is the SMILES notation for 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol?
The canonical SMILES for 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol is CC(O)CNc1nnc(-c2ccc(C3CC3)cc2O)c2cccn12.
What is the InChIKey of 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol?
The InChIKey is VSXFIPQGWUZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(23)10-19-18-21-20-17(15-3-2-8-22(15)18)14-7-6-13(9-16(14)24)12-4-5-12/h2-3,6-9,11-12,23-24H,4-5,10H2,1H3,(H,19,21).
What are the key properties of 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol?
5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-(2-hydroxypropylamino)pyrrolo[1,2-d][1,2,4]triazin-1-yl]phenol is sourced from PubChem (CID 175599317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).