(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide

C2H5N7O2 — CID 172942629

IUPAC(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide
SMILESCn1nnn(N)/c1=N/[N+](=O)[O-]
InChIInChI=1S/C2H5N7O2/c1-7-2(4-9(10)11)8(3)6-5-7/h3H2,1H3/b4-2+
InChIKeyZSOPDTMWUHNSBF-DUXPYHPUSA-N
MW159.11 g/mol
LogP-2.58
Rot. Bonds1

About (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide

(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide (PubChem CID 172942629) has the molecular formula C2H5N7O2 and a molecular weight of 159.11 g/mol. Its IUPAC name is (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide.

Molecular Properties

Compound Name(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide
PubChem CID172942629
Molecular FormulaC2H5N7O2
Molecular Weight159.11 g/mol
Exact Mass159.05
IUPAC Name(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide
SMILESCn1nnn(N)/c1=N/[N+](=O)[O-]
InChIInChI=1S/C2H5N7O2/c1-7-2(4-9(10)11)8(3)6-5-7/h3H2,1H3/b4-2+
InChIKeyZSOPDTMWUHNSBF-DUXPYHPUSA-N
XLogP-2.58
TPSA117.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide?
The IUPAC name of (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide (CID 172942629) is (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide.
What is the SMILES notation for (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide?
The canonical SMILES for (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide is Cn1nnn(N)/c1=N/[N+](=O)[O-].
What is the InChIKey of (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide?
The InChIKey is ZSOPDTMWUHNSBF-DUXPYHPUSA-N. The full InChI is InChI=1S/C2H5N7O2/c1-7-2(4-9(10)11)8(3)6-5-7/h3H2,1H3/b4-2+.
What are the key properties of (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide?
(NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide has a molecular weight of 159.11 g/mol, XLogP of -2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-amino-4-methyltetrazol-5-ylidene)nitramide is sourced from PubChem (CID 172942629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).