1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one

C16H18N6O2 — CID 72880002

IUPAC1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(-c2cn(CCn3c(C)cc(C)nc3=O)nn2)cn1
InChIInChI=1S/C16H18N6O2/c1-11-8-12(2)22(16(23)18-11)7-6-21-10-14(19-20-21)13-4-5-15(24-3)17-9-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyHOCGSIRDEZGPFM-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 72880002) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID72880002
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(-c2cn(CCn3c(C)cc(C)nc3=O)nn2)cn1
InChIInChI=1S/C16H18N6O2/c1-11-8-12(2)22(16(23)18-11)7-6-21-10-14(19-20-21)13-4-5-15(24-3)17-9-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyHOCGSIRDEZGPFM-UHFFFAOYSA-N
XLogP1.22
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one (CID 72880002) is 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one is COc1ccc(-c2cn(CCn3c(C)cc(C)nc3=O)nn2)cn1.
What is the InChIKey of 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is HOCGSIRDEZGPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-8-12(2)22(16(23)18-11)7-6-21-10-14(19-20-21)13-4-5-15(24-3)17-9-13/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 326.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 72880002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).