1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol

C10H15ClN4O — CID 171553535

IUPAC1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nc(N2CCC[C@@H]2C(C)O)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-9(11)13-14-10(12-6)15-5-3-4-8(15)7(2)16/h7-8,16H,3-5H2,1-2H3/t7?,8-/m1/s1
InChIKeyMXFATQUERRFBRS-BRFYHDHCSA-N
MW242.71 g/mol
LogP1.18
Rot. Bonds2

About 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol

1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol (PubChem CID 171553535) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol
PubChem CID171553535
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nc(N2CCC[C@@H]2C(C)O)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-9(11)13-14-10(12-6)15-5-3-4-8(15)7(2)16/h7-8,16H,3-5H2,1-2H3/t7?,8-/m1/s1
InChIKeyMXFATQUERRFBRS-BRFYHDHCSA-N
XLogP1.18
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol (CID 171553535) is 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol is Cc1nc(N2CCC[C@@H]2C(C)O)nnc1Cl.
What is the InChIKey of 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is MXFATQUERRFBRS-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-9(11)13-14-10(12-6)15-5-3-4-8(15)7(2)16/h7-8,16H,3-5H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol?
1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 242.71 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 171553535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).