N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide

C2H3N5O2 — CID 173496901

IUPACN-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide
SMILESO=[N+]([O-])N=C1N=NCN1
InChIInChI=1S/C2H3N5O2/c8-7(9)6-2-3-1-4-5-2/h1H2,(H,3,6)
InChIKeyNYVBDMLZRXWUEY-UHFFFAOYSA-N
MW129.08 g/mol
LogP-0.45
Rot. Bonds1

About N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide

N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide (PubChem CID 173496901) has the molecular formula C2H3N5O2 and a molecular weight of 129.08 g/mol. Its IUPAC name is N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide.

Molecular Properties

Compound NameN-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide
PubChem CID173496901
Molecular FormulaC2H3N5O2
Molecular Weight129.08 g/mol
Exact Mass129.03
IUPAC NameN-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide
SMILESO=[N+]([O-])N=C1N=NCN1
InChIInChI=1S/C2H3N5O2/c8-7(9)6-2-3-1-4-5-2/h1H2,(H,3,6)
InChIKeyNYVBDMLZRXWUEY-UHFFFAOYSA-N
XLogP-0.45
TPSA92.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide?
The IUPAC name of N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide (CID 173496901) is N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide.
What is the SMILES notation for N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide?
The canonical SMILES for N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide is O=[N+]([O-])N=C1N=NCN1.
What is the InChIKey of N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide?
The InChIKey is NYVBDMLZRXWUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N5O2/c8-7(9)6-2-3-1-4-5-2/h1H2,(H,3,6).
What are the key properties of N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide?
N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide has a molecular weight of 129.08 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide is sourced from PubChem (CID 173496901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).