3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine

C14H13N7O — CID 176851091

IUPAC3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine
SMILESCOc1c(C)cnc(-c2nnc(-c3ncccn3)nn2)c1C
InChIInChI=1S/C14H13N7O/c1-8-7-17-10(9(2)11(8)22-3)12-18-20-14(21-19-12)13-15-5-4-6-16-13/h4-7H,1-3H3
InChIKeyQKVDSXVYUUUBCH-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.41
Rot. Bonds3

About 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine

3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine (PubChem CID 176851091) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine
PubChem CID176851091
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine
SMILESCOc1c(C)cnc(-c2nnc(-c3ncccn3)nn2)c1C
InChIInChI=1S/C14H13N7O/c1-8-7-17-10(9(2)11(8)22-3)12-18-20-14(21-19-12)13-15-5-4-6-16-13/h4-7H,1-3H3
InChIKeyQKVDSXVYUUUBCH-UHFFFAOYSA-N
XLogP1.41
TPSA99.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine?
The IUPAC name of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine (CID 176851091) is 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine is COc1c(C)cnc(-c2nnc(-c3ncccn3)nn2)c1C.
What is the InChIKey of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine?
The InChIKey is QKVDSXVYUUUBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-8-7-17-10(9(2)11(8)22-3)12-18-20-14(21-19-12)13-15-5-4-6-16-13/h4-7H,1-3H3.
What are the key properties of 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine?
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine has a molecular weight of 295.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-6-pyrimidin-2-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 176851091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).