4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine

C10H11N7O — CID 141214133

IUPAC4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
SMILESCOc1cc(N2CC(n3ccnn3)=CN2)ncn1
InChIInChI=1S/C10H11N7O/c1-18-10-4-9(11-7-12-10)17-6-8(5-14-17)16-3-2-13-15-16/h2-5,7,14H,6H2,1H3
InChIKeyYMZOPZBASBUXQL-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.10
Rot. Bonds3

About 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine

4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine (PubChem CID 141214133) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
PubChem CID141214133
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
SMILESCOc1cc(N2CC(n3ccnn3)=CN2)ncn1
InChIInChI=1S/C10H11N7O/c1-18-10-4-9(11-7-12-10)17-6-8(5-14-17)16-3-2-13-15-16/h2-5,7,14H,6H2,1H3
InChIKeyYMZOPZBASBUXQL-UHFFFAOYSA-N
XLogP-0.10
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine (CID 141214133) is 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine is COc1cc(N2CC(n3ccnn3)=CN2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
The InChIKey is YMZOPZBASBUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-18-10-4-9(11-7-12-10)17-6-8(5-14-17)16-3-2-13-15-16/h2-5,7,14H,6H2,1H3.
What are the key properties of 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine is sourced from PubChem (CID 141214133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).