N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine

C24H25N7O2 — CID 70098294

IUPACN,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(C)(C)N(C)C)cn4)nn23)no1
InChIInChI=1S/C24H25N7O2/c1-15-12-20(29-33-15)22-27-26-21-18-8-6-7-9-19(18)23(28-31(21)22)32-14-17-11-10-16(13-25-17)24(2,3)30(4)5/h6-13H,14H2,1-5H3
InChIKeyARQVSYRJTPMXKR-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.01
Rot. Bonds6

About N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine

N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine (PubChem CID 70098294) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine
PubChem CID70098294
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(C)(C)N(C)C)cn4)nn23)no1
InChIInChI=1S/C24H25N7O2/c1-15-12-20(29-33-15)22-27-26-21-18-8-6-7-9-19(18)23(28-31(21)22)32-14-17-11-10-16(13-25-17)24(2,3)30(4)5/h6-13H,14H2,1-5H3
InChIKeyARQVSYRJTPMXKR-UHFFFAOYSA-N
XLogP4.01
TPSA94.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine?
The IUPAC name of N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine (CID 70098294) is N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine.
What is the SMILES notation for N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine?
The canonical SMILES for N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine is Cc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(C)(C)N(C)C)cn4)nn23)no1.
What is the InChIKey of N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine?
The InChIKey is ARQVSYRJTPMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15-12-20(29-33-15)22-27-26-21-18-8-6-7-9-19(18)23(28-31(21)22)32-14-17-11-10-16(13-25-17)24(2,3)30(4)5/h6-13H,14H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine?
N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine has a molecular weight of 443.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 70098294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).