3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole

C17H15N7O — CID 167792419

IUPAC3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
SMILESCn1nc(C2CC2)nc1Cc1noc(-c2nncc3ccccc23)n1
InChIInChI=1S/C17H15N7O/c1-24-14(20-16(22-24)10-6-7-10)8-13-19-17(25-23-13)15-12-5-3-2-4-11(12)9-18-21-15/h2-5,9-10H,6-8H2,1H3
InChIKeyQFHLZMQVHCCUNQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.28
Rot. Bonds4

About 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole

3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole (PubChem CID 167792419) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
PubChem CID167792419
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
SMILESCn1nc(C2CC2)nc1Cc1noc(-c2nncc3ccccc23)n1
InChIInChI=1S/C17H15N7O/c1-24-14(20-16(22-24)10-6-7-10)8-13-19-17(25-23-13)15-12-5-3-2-4-11(12)9-18-21-15/h2-5,9-10H,6-8H2,1H3
InChIKeyQFHLZMQVHCCUNQ-UHFFFAOYSA-N
XLogP2.28
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole (CID 167792419) is 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole is Cn1nc(C2CC2)nc1Cc1noc(-c2nncc3ccccc23)n1.
What is the InChIKey of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
The InChIKey is QFHLZMQVHCCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-24-14(20-16(22-24)10-6-7-10)8-13-19-17(25-23-13)15-12-5-3-2-4-11(12)9-18-21-15/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole?
3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole has a molecular weight of 333.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167792419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).