(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine

C11H11N5O2 — CID 106583946

IUPAC(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine
SMILESNNc1nc(C2CC2)nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C11H11N5O2/c12-15-11-7-2-1-3-8(16(17)18)9(7)13-10(14-11)6-4-5-6/h1-3,6H,4-5,12H2,(H,13,14,15)
InChIKeyFSERRVCLQXOIFO-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.70
Rot. Bonds3

About (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine

(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine (PubChem CID 106583946) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine
PubChem CID106583946
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine
SMILESNNc1nc(C2CC2)nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C11H11N5O2/c12-15-11-7-2-1-3-8(16(17)18)9(7)13-10(14-11)6-4-5-6/h1-3,6H,4-5,12H2,(H,13,14,15)
InChIKeyFSERRVCLQXOIFO-UHFFFAOYSA-N
XLogP1.70
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-nitro-2-pyridinyl)hydrazine
CID 3578935
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445
4-bromo-2-cyclopropyl-6-methyl-8-nitroquinazoline
CID 106584267
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
2,4-dimethyl-8-nitroquinoline
CID 608736
1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058826
(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine
CID 106584254
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
8-nitroquinazolin-4-amine
CID 119088065
2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
CID 133436763
N,N-dimethyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidin-3-amine
CID 133437157
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine?
The IUPAC name of (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine (CID 106583946) is (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine.
What is the SMILES notation for (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine?
The canonical SMILES for (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine is NNc1nc(C2CC2)nc2c([N+](=O)[O-])cccc12.
What is the InChIKey of (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine?
The InChIKey is FSERRVCLQXOIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-15-11-7-2-1-3-8(16(17)18)9(7)13-10(14-11)6-4-5-6/h1-3,6H,4-5,12H2,(H,13,14,15).
What are the key properties of (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine?
(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine has a molecular weight of 245.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine is sourced from PubChem (CID 106583946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).