N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine

C13H19N5 — CID 80944435

IUPACN-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
SMILESCCN(c1nc(NN)nc2ccccc12)C(C)C
InChIInChI=1S/C13H19N5/c1-4-18(9(2)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)
InChIKeySEMCWIQKZGIGJN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine

N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine (PubChem CID 80944435) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
PubChem CID80944435
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
SMILESCCN(c1nc(NN)nc2ccccc12)C(C)C
InChIInChI=1S/C13H19N5/c1-4-18(9(2)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)
InChIKeySEMCWIQKZGIGJN-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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Related Compounds

2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80905482
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-1-ol
CID 104557153
1-[(2-hydrazinylquinazolin-4-yl)-methylamino]propan-2-ol
CID 80908293
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
CID 80894334
3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
CID 62299466
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80786859
2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine (CID 80944435) is N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine is CCN(c1nc(NN)nc2ccccc12)C(C)C.
What is the InChIKey of N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine?
The InChIKey is SEMCWIQKZGIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18(9(2)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-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine?
N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-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-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 80944435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).