4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine

C9H11N5O — CID 21025886

IUPAC4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine
SMILESCc1ccnc(OCc2cn(C)nn2)n1
InChIInChI=1S/C9H11N5O/c1-7-3-4-10-9(11-7)15-6-8-5-14(2)13-12-8/h3-5H,6H2,1-2H3
InChIKeyJRWNZQBFTVUESZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.49
Rot. Bonds3

About 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine

4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine (PubChem CID 21025886) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine
PubChem CID21025886
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine
SMILESCc1ccnc(OCc2cn(C)nn2)n1
InChIInChI=1S/C9H11N5O/c1-7-3-4-10-9(11-7)15-6-8-5-14(2)13-12-8/h3-5H,6H2,1-2H3
InChIKeyJRWNZQBFTVUESZ-UHFFFAOYSA-N
XLogP0.49
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine?
The IUPAC name of 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine (CID 21025886) is 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine?
The canonical SMILES for 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine is Cc1ccnc(OCc2cn(C)nn2)n1.
What is the InChIKey of 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine?
The InChIKey is JRWNZQBFTVUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-7-3-4-10-9(11-7)15-6-8-5-14(2)13-12-8/h3-5H,6H2,1-2H3.
What are the key properties of 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine?
4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine has a molecular weight of 205.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyltriazol-4-yl)methoxy]pyrimidine is sourced from PubChem (CID 21025886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).