(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone

C9H9N5O2 — CID 164663087

IUPAC(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
SMILESCOc1cc(C(=O)c2cn(C)nn2)ncn1
InChIInChI=1S/C9H9N5O2/c1-14-4-7(12-13-14)9(15)6-3-8(16-2)11-5-10-6/h3-5H,1-2H3
InChIKeyRJMNUAWLTPLIET-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.16
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone

(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone (PubChem CID 164663087) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
PubChem CID164663087
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
SMILESCOc1cc(C(=O)c2cn(C)nn2)ncn1
InChIInChI=1S/C9H9N5O2/c1-14-4-7(12-13-14)9(15)6-3-8(16-2)11-5-10-6/h3-5H,1-2H3
InChIKeyRJMNUAWLTPLIET-UHFFFAOYSA-N
XLogP-0.16
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone (CID 164663087) is (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone is COc1cc(C(=O)c2cn(C)nn2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is RJMNUAWLTPLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-4-7(12-13-14)9(15)6-3-8(16-2)11-5-10-6/h3-5H,1-2H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone?
(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 219.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 164663087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).