N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine

C13H19N5 — CID 80894230

IUPACN-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
SMILESCCC(C)N(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5/c1-4-9(2)18(3)12-10-7-5-6-8-11(10)15-13(16-12)17-14/h5-9H,4,14H2,1-3H3,(H,15,16,17)
InChIKeyFMYWFASMDRHJEK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds4

About N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine

N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine (PubChem CID 80894230) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
PubChem CID80894230
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
SMILESCCC(C)N(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5/c1-4-9(2)18(3)12-10-7-5-6-8-11(10)15-13(16-12)17-14/h5-9H,4,14H2,1-3H3,(H,15,16,17)
InChIKeyFMYWFASMDRHJEK-UHFFFAOYSA-N
XLogP2.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine?
The IUPAC name of N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine (CID 80894230) is N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine?
The canonical SMILES for N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine is CCC(C)N(C)c1nc(NN)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine?
The InChIKey is FMYWFASMDRHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-9(2)18(3)12-10-7-5-6-8-11(10)15-13(16-12)17-14/h5-9H,4,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine?
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine is sourced from PubChem (CID 80894230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).