N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide

C6H8N8O — CID 132594805

IUPACN-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide
SMILESO=NNc1nnnn1CCn1cccn1
InChIInChI=1S/C6H8N8O/c15-12-9-6-8-10-11-14(6)5-4-13-3-1-2-7-13/h1-3H,4-5H2,(H,8,9,11,15)
InChIKeyGNCUVVYHUJWPGT-UHFFFAOYSA-N
MW208.19 g/mol
LogP-0.34
Rot. Bonds5

About N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide

N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide (PubChem CID 132594805) has the molecular formula C6H8N8O and a molecular weight of 208.19 g/mol. Its IUPAC name is N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide.

Molecular Properties

Compound NameN-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide
PubChem CID132594805
Molecular FormulaC6H8N8O
Molecular Weight208.19 g/mol
Exact Mass208.08
IUPAC NameN-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide
SMILESO=NNc1nnnn1CCn1cccn1
InChIInChI=1S/C6H8N8O/c15-12-9-6-8-10-11-14(6)5-4-13-3-1-2-7-13/h1-3H,4-5H2,(H,8,9,11,15)
InChIKeyGNCUVVYHUJWPGT-UHFFFAOYSA-N
XLogP-0.34
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide?
The IUPAC name of N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide (CID 132594805) is N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide.
What is the SMILES notation for N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide?
The canonical SMILES for N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide is O=NNc1nnnn1CCn1cccn1.
What is the InChIKey of N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide?
The InChIKey is GNCUVVYHUJWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O/c15-12-9-6-8-10-11-14(6)5-4-13-3-1-2-7-13/h1-3H,4-5H2,(H,8,9,11,15).
What are the key properties of N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide?
N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide has a molecular weight of 208.19 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]nitrous amide is sourced from PubChem (CID 132594805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).