2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

C11H20N6O — CID 107226843

IUPAC2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESNNc1nccc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C11H20N6O/c12-15-11-13-3-2-10(14-11)17-5-1-4-16(6-7-17)8-9-18/h2-3,18H,1,4-9,12H2,(H,13,14,15)
InChIKeyNRZNLWJWRLRHJP-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.73
Rot. Bonds4

About 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107226843) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107226843
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESNNc1nccc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C11H20N6O/c12-15-11-13-3-2-10(14-11)17-5-1-4-16(6-7-17)8-9-18/h2-3,18H,1,4-9,12H2,(H,13,14,15)
InChIKeyNRZNLWJWRLRHJP-UHFFFAOYSA-N
XLogP-0.73
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (CID 107226843) is 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is NNc1nccc(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is NRZNLWJWRLRHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-15-11-13-3-2-10(14-11)17-5-1-4-16(6-7-17)8-9-18/h2-3,18H,1,4-9,12H2,(H,13,14,15).
What are the key properties of 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).