1-chloro-5-nitrotetrazole

CClN5O2 — CID 69030481

IUPAC1-chloro-5-nitrotetrazole
SMILESO=[N+]([O-])c1nnnn1Cl
InChIInChI=1S/CClN5O2/c2-6-1(7(8)9)3-4-5-6
InChIKeyGHWKXZFQRZLLDE-UHFFFAOYSA-N
MW149.50 g/mol
LogP-0.42
Rot. Bonds1

About 1-chloro-5-nitrotetrazole

1-chloro-5-nitrotetrazole (PubChem CID 69030481) has the molecular formula CClN5O2 and a molecular weight of 149.50 g/mol. Its IUPAC name is 1-chloro-5-nitrotetrazole.

Molecular Properties

Compound Name1-chloro-5-nitrotetrazole
PubChem CID69030481
Molecular FormulaCClN5O2
Molecular Weight149.50 g/mol
Exact Mass148.97
IUPAC Name1-chloro-5-nitrotetrazole
SMILESO=[N+]([O-])c1nnnn1Cl
InChIInChI=1S/CClN5O2/c2-6-1(7(8)9)3-4-5-6
InChIKeyGHWKXZFQRZLLDE-UHFFFAOYSA-N
XLogP-0.42
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.50
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-chloro-5-nitrotetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-5-nitrotetrazole
CID 69032216
copper bis(1-chlorotetrazole-5-carboxylate)
CID 70469364
2,4-dinitroimidazole-1,5-diamine
CID 132533422
5-nitrotetrazolo[1,5-a]pyridine
CID 19108230
(5-aminotetrazol-1-yl) nitrate
CID 70017504
2,5-dinitroimidazol-1-amine
CID 102232267
nitric acid;tetrazole-1,5-diamine
CID 13378165
copper;azane;nitro-[5-(1-nitroazanidyltetrazol-5-yl)tetrazol-1-yl]azanide;hydrate
CID 139170472
potassium 3,5-dinitrotriazole-4-carboxylate
CID 87946922
2-iodo-5-nitrotetrazole
CID 69031764
2-fluoro-5-nitrotetrazole
CID 69030732
5-(4-chloro-2-nitrophenyl)-1-methyltetrazole
CID 117063952

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-nitrotetrazole?
The IUPAC name of 1-chloro-5-nitrotetrazole (CID 69030481) is 1-chloro-5-nitrotetrazole.
What is the SMILES notation for 1-chloro-5-nitrotetrazole?
The canonical SMILES for 1-chloro-5-nitrotetrazole is O=[N+]([O-])c1nnnn1Cl.
What is the InChIKey of 1-chloro-5-nitrotetrazole?
The InChIKey is GHWKXZFQRZLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/CClN5O2/c2-6-1(7(8)9)3-4-5-6.
What are the key properties of 1-chloro-5-nitrotetrazole?
1-chloro-5-nitrotetrazole has a molecular weight of 149.50 g/mol, XLogP of -0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-nitrotetrazole is sourced from PubChem (CID 69030481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).