(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide

C2H4N6O2 — CID 177438875

IUPAC(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide
SMILESCn1[nH]nn/c1=N\[N+](=O)[O-]
InChIInChI=1S/C2H4N6O2/c1-7-2(3-5-6-7)4-8(9)10/h1H3,(H,3,4,6)
InChIKeyLRDDIOYHVHYIBU-UHFFFAOYSA-N
MW144.09 g/mol
LogP-1.76
Rot. Bonds1

About (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide

(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide (PubChem CID 177438875) has the molecular formula C2H4N6O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide.

Molecular Properties

Compound Name(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide
PubChem CID177438875
Molecular FormulaC2H4N6O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Name(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide
SMILESCn1[nH]nn/c1=N\[N+](=O)[O-]
InChIInChI=1S/C2H4N6O2/c1-7-2(3-5-6-7)4-8(9)10/h1H3,(H,3,4,6)
InChIKeyLRDDIOYHVHYIBU-UHFFFAOYSA-N
XLogP-1.76
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide?
The IUPAC name of (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide (CID 177438875) is (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide.
What is the SMILES notation for (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide?
The canonical SMILES for (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide is Cn1[nH]nn/c1=N\[N+](=O)[O-].
What is the InChIKey of (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide?
The InChIKey is LRDDIOYHVHYIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N6O2/c1-7-2(3-5-6-7)4-8(9)10/h1H3,(H,3,4,6).
What are the key properties of (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide?
(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide has a molecular weight of 144.09 g/mol, XLogP of -1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide is sourced from PubChem (CID 177438875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).