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

C12H17N5O — CID 80908293

IUPAC1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5O/c1-8(18)7-17(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)
InChIKeyFGNPBCGYQVBKFO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.73
Rot. Bonds4

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

1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol (PubChem CID 80908293) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol
PubChem CID80908293
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5O/c1-8(18)7-17(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)
InChIKeyFGNPBCGYQVBKFO-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol (CID 80908293) is 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1nc(NN)nc2ccccc12.
What is the InChIKey of 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol?
The InChIKey is FGNPBCGYQVBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(18)7-17(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 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol?
1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-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 1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 80908293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).