4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol

C12H17N5O — CID 106847076

IUPAC4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
SMILESNNc1nc(NCCCCO)c2ccccc2n1
InChIInChI=1S/C12H17N5O/c13-17-12-15-10-6-2-1-5-9(10)11(16-12)14-7-3-4-8-18/h1-2,5-6,18H,3-4,7-8,13H2,(H2,14,15,16,17)
InChIKeyGUSZQLMQBCUENX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds6

About 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol

4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol (PubChem CID 106847076) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
PubChem CID106847076
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
SMILESNNc1nc(NCCCCO)c2ccccc2n1
InChIInChI=1S/C12H17N5O/c13-17-12-15-10-6-2-1-5-9(10)11(16-12)14-7-3-4-8-18/h1-2,5-6,18H,3-4,7-8,13H2,(H2,14,15,16,17)
InChIKeyGUSZQLMQBCUENX-UHFFFAOYSA-N
XLogP1.10
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114154625
N-(2-cyclobutylethyl)-2-hydrazinylquinazolin-4-amine
CID 113479557
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
N-(2-cyclopentylethyl)-2-hydrazinylquinazolin-4-amine
CID 80898286
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol (CID 106847076) is 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol is NNc1nc(NCCCCO)c2ccccc2n1.
What is the InChIKey of 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol?
The InChIKey is GUSZQLMQBCUENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-17-12-15-10-6-2-1-5-9(10)11(16-12)14-7-3-4-8-18/h1-2,5-6,18H,3-4,7-8,13H2,(H2,14,15,16,17).
What are the key properties of 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol?
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106847076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).