4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol

C13H19N5O — CID 80922127

IUPAC4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5O/c1-9(6-7-19)8-15-12-10-4-2-3-5-11(10)16-13(17-12)18-14/h2-5,9,19H,6-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyBJFFLMMASCRQMI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.35
Rot. Bonds6

About 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol

4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80922127) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80922127
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5O/c1-9(6-7-19)8-15-12-10-4-2-3-5-11(10)16-13(17-12)18-14/h2-5,9,19H,6-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyBJFFLMMASCRQMI-UHFFFAOYSA-N
XLogP1.35
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.35
H-Bond Donors ≤ 54
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

4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114154625
N-(2-ethylhexyl)-2-hydrazinylquinazolin-4-amine
CID 107819198
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
CID 80839910

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol (CID 80922127) is 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNc1nc(NN)nc2ccccc12.
What is the InChIKey of 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is BJFFLMMASCRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(6-7-19)8-15-12-10-4-2-3-5-11(10)16-13(17-12)18-14/h2-5,9,19H,6-8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol?
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.35, 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]-3-methylbutan-1-ol is sourced from PubChem (CID 80922127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).