(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine

C10H11N5O2 — CID 106584254

IUPAC(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine
SMILESCc1cc([N+](=O)[O-])c2nc(C)nc(NN)c2c1
InChIInChI=1S/C10H11N5O2/c1-5-3-7-9(8(4-5)15(16)17)12-6(2)13-10(7)14-11/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyORVAQRKNDONDDZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.44
Rot. Bonds2

About (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine

(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine (PubChem CID 106584254) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine
PubChem CID106584254
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine
SMILESCc1cc([N+](=O)[O-])c2nc(C)nc(NN)c2c1
InChIInChI=1S/C10H11N5O2/c1-5-3-7-9(8(4-5)15(16)17)12-6(2)13-10(7)14-11/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyORVAQRKNDONDDZ-UHFFFAOYSA-N
XLogP1.44
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.44
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

(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine
CID 106584258
4-bromo-2-cyclopropyl-6-methyl-8-nitroquinazoline
CID 106584267
6-methyl-4-nitro-1,3-benzothiazol-2-amine
CID 3147230
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
(2-cyclopropyl-8-nitroquinazolin-4-yl)hydrazine
CID 106583946
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
6-methyl-4-nitro-1H-benzimidazole
CID 46707907
[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine
CID 119096956
5-(4-methyl-2,6-dinitrophenyl)pentan-1-amine
CID 147431083

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine?
The IUPAC name of (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine (CID 106584254) is (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine.
What is the SMILES notation for (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine?
The canonical SMILES for (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine is Cc1cc([N+](=O)[O-])c2nc(C)nc(NN)c2c1.
What is the InChIKey of (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine?
The InChIKey is ORVAQRKNDONDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-5-3-7-9(8(4-5)15(16)17)12-6(2)13-10(7)14-11/h3-4H,11H2,1-2H3,(H,12,13,14).
What are the key properties of (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine?
(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine has a molecular weight of 233.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine is sourced from PubChem (CID 106584254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).