5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine

C14H14N6O — CID 130309516

IUPAC5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine
SMILESCc1cnc(OCc2cn(-c3ccnc(C)c3)nn2)nc1
InChIInChI=1S/C14H14N6O/c1-10-6-16-14(17-7-10)21-9-12-8-20(19-18-12)13-3-4-15-11(2)5-13/h3-8H,9H2,1-2H3
InChIKeyZDNSEOYRLXQGFM-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.65
Rot. Bonds4

About 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine

5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309516) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID130309516
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine
SMILESCc1cnc(OCc2cn(-c3ccnc(C)c3)nn2)nc1
InChIInChI=1S/C14H14N6O/c1-10-6-16-14(17-7-10)21-9-12-8-20(19-18-12)13-3-4-15-11(2)5-13/h3-8H,9H2,1-2H3
InChIKeyZDNSEOYRLXQGFM-UHFFFAOYSA-N
XLogP1.65
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine (CID 130309516) is 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine is Cc1cnc(OCc2cn(-c3ccnc(C)c3)nn2)nc1.
What is the InChIKey of 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is ZDNSEOYRLXQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-10-6-16-14(17-7-10)21-9-12-8-20(19-18-12)13-3-4-15-11(2)5-13/h3-8H,9H2,1-2H3.
What are the key properties of 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine?
5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine has a molecular weight of 282.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-(2-methyl-4-pyridinyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).