6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine

C15H16N4O — CID 126434033

IUPAC6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCO[C@H](C)c1cccc(-c2cnc3nnc(C)n3c2)c1
InChIInChI=1S/C15H16N4O/c1-10(20-3)12-5-4-6-13(7-12)14-8-16-15-18-17-11(2)19(15)9-14/h4-10H,1-3H3/t10-/m1/s1
InChIKeyRHNGDOYSINWOGY-SNVBAGLBSA-N
MW268.32 g/mol
LogP2.81
Rot. Bonds3

About 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine

6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 126434033) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID126434033
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCO[C@H](C)c1cccc(-c2cnc3nnc(C)n3c2)c1
InChIInChI=1S/C15H16N4O/c1-10(20-3)12-5-4-6-13(7-12)14-8-16-15-18-17-11(2)19(15)9-14/h4-10H,1-3H3/t10-/m1/s1
InChIKeyRHNGDOYSINWOGY-SNVBAGLBSA-N
XLogP2.81
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 126434033) is 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine is CO[C@H](C)c1cccc(-c2cnc3nnc(C)n3c2)c1.
What is the InChIKey of 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is RHNGDOYSINWOGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(20-3)12-5-4-6-13(7-12)14-8-16-15-18-17-11(2)19(15)9-14/h4-10H,1-3H3/t10-/m1/s1.
What are the key properties of 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine?
6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 126434033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).