5-nitrotetrazol-5-amine

CH2N6O2 — CID 174910148

IUPAC5-nitrotetrazol-5-amine
SMILESNC1([N+](=O)[O-])N=NN=N1
InChIInChI=1S/CH2N6O2/c2-1(7(8)9)3-5-6-4-1/h2H2
InChIKeyLRVQLPFROIWHHF-UHFFFAOYSA-N
MW130.07 g/mol
LogP-0.33
Rot. Bonds1

About 5-nitrotetrazol-5-amine

5-nitrotetrazol-5-amine (PubChem CID 174910148) has the molecular formula CH2N6O2 and a molecular weight of 130.07 g/mol. Its IUPAC name is 5-nitrotetrazol-5-amine.

Molecular Properties

Compound Name5-nitrotetrazol-5-amine
PubChem CID174910148
Molecular FormulaCH2N6O2
Molecular Weight130.07 g/mol
Exact Mass130.02
IUPAC Name5-nitrotetrazol-5-amine
SMILESNC1([N+](=O)[O-])N=NN=N1
InChIInChI=1S/CH2N6O2/c2-1(7(8)9)3-5-6-4-1/h2H2
InChIKeyLRVQLPFROIWHHF-UHFFFAOYSA-N
XLogP-0.33
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.07
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-nitrotetrazol-5-amine 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

cobalt;bis(5-nitrotetrazole-5-carboxylic acid)
CID 163204022
azane;5-nitrotetrazole-5-carboxylic acid
CID 173025688
2,2,4,4,6,6-hexanitro-1,3,5-triazinane
CID 176507301
[5-(dinitromethyl)-4-nitrotriazol-4-yl]hydrazine
CID 175426552
bis(yttrium(3+));hexanitrate;heptahydrate
CID 139054016
barium(2+);dinitrate;hydrate
CID 140616547
CID 101074307
CID 101074307
5-methyltetrazol-5-amine
CID 57134165
4-(4-amino-4-nitrocyclohexa-2,5-dien-1-ylidene)-1-nitrocyclohexa-2,5-dien-1-amine
CID 164578425
barium(2+);λ2-plumbane;chloride;nitrate
CID 174590584
hydrazine;nickel(2+);dinitrate
CID 159398575
CID 173018650
CID 173018650

Frequently Asked Questions

What is the IUPAC name of 5-nitrotetrazol-5-amine?
The IUPAC name of 5-nitrotetrazol-5-amine (CID 174910148) is 5-nitrotetrazol-5-amine.
What is the SMILES notation for 5-nitrotetrazol-5-amine?
The canonical SMILES for 5-nitrotetrazol-5-amine is NC1([N+](=O)[O-])N=NN=N1.
What is the InChIKey of 5-nitrotetrazol-5-amine?
The InChIKey is LRVQLPFROIWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N6O2/c2-1(7(8)9)3-5-6-4-1/h2H2.
What are the key properties of 5-nitrotetrazol-5-amine?
5-nitrotetrazol-5-amine has a molecular weight of 130.07 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrotetrazol-5-amine is sourced from PubChem (CID 174910148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).