5,6-dinitro-3-propyl-2H-indazole

C10H10N4O4 — CID 139995253

IUPAC5,6-dinitro-3-propyl-2H-indazole
SMILESCCCc1[nH]nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc12
InChIInChI=1S/C10H10N4O4/c1-2-3-7-6-4-9(13(15)16)10(14(17)18)5-8(6)12-11-7/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyAMGYWOJZSARKIC-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.33
Rot. Bonds4

About 5,6-dinitro-3-propyl-2H-indazole

5,6-dinitro-3-propyl-2H-indazole (PubChem CID 139995253) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5,6-dinitro-3-propyl-2H-indazole.

Molecular Properties

Compound Name5,6-dinitro-3-propyl-2H-indazole
PubChem CID139995253
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5,6-dinitro-3-propyl-2H-indazole
SMILESCCCc1[nH]nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc12
InChIInChI=1S/C10H10N4O4/c1-2-3-7-6-4-9(13(15)16)10(14(17)18)5-8(6)12-11-7/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyAMGYWOJZSARKIC-UHFFFAOYSA-N
XLogP2.33
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5,6-dinitro-2H-indazole
CID 138559785
3,6-dibromo-5-nitro-2H-indazole
CID 171662384
3-nitro-2-propyl-1H-pyrrole
CID 100914810
5-bromo-3-chloro-6-nitro-2H-indazole
CID 70680679
6-methyl-3-nitro-2H-indazole
CID 135883511
5-methyl-3-nitro-6-propyl-1H-pyridin-2-one
CID 59140005
1-(2,2-difluoroethyl)-5-nitro-3-propylindazole;1-(2,2-difluoroethyl)-3-propylindazol-5-amine;5-nitro-3-propyl-2H-indazole
CID 161055162
1-chloro-2,4-dinitro-5-propylbenzene
CID 58056273
2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine
CID 3834910
6,7-dinitroquinoxaline
CID 2724608
N-(4-nitro-5-propyl-1H-pyrazol-3-yl)formamide
CID 175319345
2-[(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 119350056

Frequently Asked Questions

What is the IUPAC name of 5,6-dinitro-3-propyl-2H-indazole?
The IUPAC name of 5,6-dinitro-3-propyl-2H-indazole (CID 139995253) is 5,6-dinitro-3-propyl-2H-indazole.
What is the SMILES notation for 5,6-dinitro-3-propyl-2H-indazole?
The canonical SMILES for 5,6-dinitro-3-propyl-2H-indazole is CCCc1[nH]nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc12.
What is the InChIKey of 5,6-dinitro-3-propyl-2H-indazole?
The InChIKey is AMGYWOJZSARKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-2-3-7-6-4-9(13(15)16)10(14(17)18)5-8(6)12-11-7/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 5,6-dinitro-3-propyl-2H-indazole?
5,6-dinitro-3-propyl-2H-indazole has a molecular weight of 250.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dinitro-3-propyl-2H-indazole is sourced from PubChem (CID 139995253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).