N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine

C14H21N5S — CID 80930019

IUPACN,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
SMILESCCN(CC)CCSc1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5S/c1-3-19(4-2)9-10-20-13-11-7-5-6-8-12(11)16-14(17-13)18-15/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17,18)
InChIKeyNDAGHDBSQZHFFZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.35
Rot. Bonds7

About N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine

N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine (PubChem CID 80930019) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
PubChem CID80930019
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
SMILESCCN(CC)CCSc1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5S/c1-3-19(4-2)9-10-20-13-11-7-5-6-8-12(11)16-14(17-13)18-15/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17,18)
InChIKeyNDAGHDBSQZHFFZ-UHFFFAOYSA-N
XLogP2.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
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',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
N-ethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylacetamide
CID 114235259
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
CID 80924768
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 171668935
N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80944435
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602
2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol
CID 80896116
2,4-bis(butylsulfanyl)quinazoline
CID 154338334

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine?
The IUPAC name of N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine (CID 80930019) is N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine is CCN(CC)CCSc1nc(NN)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine?
The InChIKey is NDAGHDBSQZHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-19(4-2)9-10-20-13-11-7-5-6-8-12(11)16-14(17-13)18-15/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17,18).
What are the key properties of N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine?
N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine is sourced from PubChem (CID 80930019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).