2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol

C14H21N5O — CID 80896116

IUPAC2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5O/c1-2-3-8-19(9-10-20)13-11-6-4-5-7-12(11)16-14(17-13)18-15/h4-7,20H,2-3,8-10,15H2,1H3,(H,16,17,18)
InChIKeySNBCVARNLOFDFN-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds7

About 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol

2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol (PubChem CID 80896116) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol
PubChem CID80896116
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5O/c1-2-3-8-19(9-10-20)13-11-6-4-5-7-12(11)16-14(17-13)18-15/h4-7,20H,2-3,8-10,15H2,1H3,(H,16,17,18)
InChIKeySNBCVARNLOFDFN-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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602
2-[[2-(methylamino)quinazolin-4-yl]-propylamino]ethanol
CID 80795390
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
CID 80894334
5-[(2-hydrazinylquinazolin-4-yl)-methylamino]pentan-1-ol
CID 107207592
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
2-[butyl(quinazolin-4-yl)amino]ethanol
CID 61448133
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
CID 104557153
2-N-methyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80764587
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502
2-[2,2-difluoroethyl-[2-(methylamino)quinazolin-4-yl]amino]ethanol
CID 107495123

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol (CID 80896116) is 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol is CCCCN(CCO)c1nc(NN)nc2ccccc12.
What is the InChIKey of 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol?
The InChIKey is SNBCVARNLOFDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-3-8-19(9-10-20)13-11-6-4-5-7-12(11)16-14(17-13)18-15/h4-7,20H,2-3,8-10,15H2,1H3,(H,16,17,18).
What are the key properties of 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol?
2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol 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 2-[butyl-(2-hydrazinylquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 80896116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).