2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C9H16N4O3 — CID 107855145

IUPAC2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNNc1cccc(NC(CO)(CO)CO)n1
InChIInChI=1S/C9H16N4O3/c10-13-8-3-1-2-7(11-8)12-9(4-14,5-15)6-16/h1-3,14-16H,4-6,10H2,(H2,11,12,13)
InChIKeyNFCQXHLJMZRXPJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.51
Rot. Bonds6

About 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107855145) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107855145
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNNc1cccc(NC(CO)(CO)CO)n1
InChIInChI=1S/C9H16N4O3/c10-13-8-3-1-2-7(11-8)12-9(4-14,5-15)6-16/h1-3,14-16H,4-6,10H2,(H2,11,12,13)
InChIKeyNFCQXHLJMZRXPJ-UHFFFAOYSA-N
XLogP-1.51
TPSA123.66 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 56
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-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107855145) is 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is NNc1cccc(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is NFCQXHLJMZRXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-13-8-3-1-2-7(11-8)12-9(4-14,5-15)6-16/h1-3,14-16H,4-6,10H2,(H2,11,12,13).
What are the key properties of 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of -1.51, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107855145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).