3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C10H9N7 — CID 121412465

IUPAC3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1ncncc1-c1nnc2ccnc(N)n12
InChIInChI=1S/C10H9N7/c1-6-7(4-12-5-14-6)9-16-15-8-2-3-13-10(11)17(8)9/h2-5H,1H3,(H2,11,13)
InChIKeyNHXZOUKOMPFBJQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.47
Rot. Bonds1

About 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121412465) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121412465
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1ncncc1-c1nnc2ccnc(N)n12
InChIInChI=1S/C10H9N7/c1-6-7(4-12-5-14-6)9-16-15-8-2-3-13-10(11)17(8)9/h2-5H,1H3,(H2,11,13)
InChIKeyNHXZOUKOMPFBJQ-UHFFFAOYSA-N
XLogP0.47
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121412465) is 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1ncncc1-c1nnc2ccnc(N)n12.
What is the InChIKey of 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is NHXZOUKOMPFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-6-7(4-12-5-14-6)9-16-15-8-2-3-13-10(11)17(8)9/h2-5H,1H3,(H2,11,13).
What are the key properties of 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 227.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121412465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).