2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol

C12H17N5O — CID 104557153

IUPAC2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5O/c1-8(7-18)17(2)11-9-5-3-4-6-10(9)14-12(15-11)16-13/h3-6,8,18H,7,13H2,1-2H3,(H,14,15,16)
InChIKeyCYSWUYVHFOULLM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.73
Rot. Bonds4

About 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol

2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol (PubChem CID 104557153) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
PubChem CID104557153
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5O/c1-8(7-18)17(2)11-9-5-3-4-6-10(9)14-12(15-11)16-13/h3-6,8,18H,7,13H2,1-2H3,(H,14,15,16)
InChIKeyCYSWUYVHFOULLM-UHFFFAOYSA-N
XLogP0.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.73
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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Related Compounds

N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol
CID 80908293
N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80944435
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602
5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol
CID 107207592
2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol
CID 80896116
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
CID 80894334
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-methylamino]propan-1-ol
CID 104553842
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
CID 80793521

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol (CID 104557153) is 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol is CC(CO)N(C)c1nc(NN)nc2ccccc12.
What is the InChIKey of 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol?
The InChIKey is CYSWUYVHFOULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(7-18)17(2)11-9-5-3-4-6-10(9)14-12(15-11)16-13/h3-6,8,18H,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol?
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104557153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).