5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine

C12H13N7O — CID 72847615

IUPAC5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine
SMILESCOCc1cc(Cn2cc(-c3cncnc3)nn2)[nH]n1
InChIInChI=1S/C12H13N7O/c1-20-7-11-2-10(15-16-11)5-19-6-12(17-18-19)9-3-13-8-14-4-9/h2-4,6,8H,5,7H2,1H3,(H,15,16)
InChIKeyRRPWIAQSULQTAI-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.65
Rot. Bonds5

About 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine

5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine (PubChem CID 72847615) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine
PubChem CID72847615
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine
SMILESCOCc1cc(Cn2cc(-c3cncnc3)nn2)[nH]n1
InChIInChI=1S/C12H13N7O/c1-20-7-11-2-10(15-16-11)5-19-6-12(17-18-19)9-3-13-8-14-4-9/h2-4,6,8H,5,7H2,1H3,(H,15,16)
InChIKeyRRPWIAQSULQTAI-UHFFFAOYSA-N
XLogP0.65
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine?
The IUPAC name of 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine (CID 72847615) is 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine?
The canonical SMILES for 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine is COCc1cc(Cn2cc(-c3cncnc3)nn2)[nH]n1.
What is the InChIKey of 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine?
The InChIKey is RRPWIAQSULQTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-20-7-11-2-10(15-16-11)5-19-6-12(17-18-19)9-3-13-8-14-4-9/h2-4,6,8H,5,7H2,1H3,(H,15,16).
What are the key properties of 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine?
5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine has a molecular weight of 271.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazol-4-yl]pyrimidine is sourced from PubChem (CID 72847615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).