1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C11H19N5O — CID 112629787

IUPAC1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(C(C)O)C2)nc(NN)n1
InChIInChI=1S/C11H19N5O/c1-7-5-10(14-11(13-7)15-12)16-4-3-9(6-16)8(2)17/h5,8-9,17H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyNAAZRKLAVFNATH-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.28
Rot. Bonds3

About 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112629787) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID112629787
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(C(C)O)C2)nc(NN)n1
InChIInChI=1S/C11H19N5O/c1-7-5-10(14-11(13-7)15-12)16-4-3-9(6-16)8(2)17/h5,8-9,17H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyNAAZRKLAVFNATH-UHFFFAOYSA-N
XLogP0.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 112629787) is 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is Cc1cc(N2CCC(C(C)O)C2)nc(NN)n1.
What is the InChIKey of 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is NAAZRKLAVFNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-5-10(14-11(13-7)15-12)16-4-3-9(6-16)8(2)17/h5,8-9,17H,3-4,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 237.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).