5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol

C14H21N5O — CID 107207592

IUPAC5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5O/c1-19(9-5-2-6-10-20)13-11-7-3-4-8-12(11)16-14(17-13)18-15/h3-4,7-8,20H,2,5-6,9-10,15H2,1H3,(H,16,17,18)
InChIKeySEPIXUUXMCGEKH-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds7

About 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol

5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol (PubChem CID 107207592) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol
PubChem CID107207592
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5O/c1-19(9-5-2-6-10-20)13-11-7-3-4-8-12(11)16-14(17-13)18-15/h3-4,7-8,20H,2,5-6,9-10,15H2,1H3,(H,16,17,18)
InChIKeySEPIXUUXMCGEKH-UHFFFAOYSA-N
XLogP1.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol (CID 107207592) is 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol is CN(CCCCCO)c1nc(NN)nc2ccccc12.
What is the InChIKey of 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol?
The InChIKey is SEPIXUUXMCGEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-19(9-5-2-6-10-20)13-11-7-3-4-8-12(11)16-14(17-13)18-15/h3-4,7-8,20H,2,5-6,9-10,15H2,1H3,(H,16,17,18).
What are the key properties of 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol?
5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol has a molecular weight of 275.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107207592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).