4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one

C15H15N5O — CID 95202543

IUPAC4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one
SMILESC[C@@H](c1n[nH]c(C2CC2)n1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H15N5O/c1-8(13-16-14(19-18-13)9-6-7-9)12-10-4-2-3-5-11(10)15(21)20-17-12/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,16,18,19)/t8-/m1/s1
InChIKeySPBCEXZQAVEXRN-MRVPVSSYSA-N
MW281.32 g/mol
LogP2.07
Rot. Bonds3

About 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one

4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one (PubChem CID 95202543) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one
PubChem CID95202543
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one
SMILESC[C@@H](c1n[nH]c(C2CC2)n1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H15N5O/c1-8(13-16-14(19-18-13)9-6-7-9)12-10-4-2-3-5-11(10)15(21)20-17-12/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,16,18,19)/t8-/m1/s1
InChIKeySPBCEXZQAVEXRN-MRVPVSSYSA-N
XLogP2.07
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one (CID 95202543) is 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one is C[C@@H](c1n[nH]c(C2CC2)n1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one?
The InChIKey is SPBCEXZQAVEXRN-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-8(13-16-14(19-18-13)9-6-7-9)12-10-4-2-3-5-11(10)15(21)20-17-12/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,16,18,19)/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one?
4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one has a molecular weight of 281.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 95202543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).