2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine

C7H8N6O3 — CID 5487022

IUPAC2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine
SMILESN/C(=N\[N+](=O)[O-])N(Cc1ccncc1)N=O
InChIInChI=1S/C7H8N6O3/c8-7(10-13(15)16)12(11-14)5-6-1-3-9-4-2-6/h1-4H,5H2,(H2,8,10)
InChIKeyFENUPYKSEDYBHC-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.07
Rot. Bonds4

About 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine

2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine (PubChem CID 5487022) has the molecular formula C7H8N6O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine
PubChem CID5487022
Molecular FormulaC7H8N6O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine
SMILESN/C(=N\[N+](=O)[O-])N(Cc1ccncc1)N=O
InChIInChI=1S/C7H8N6O3/c8-7(10-13(15)16)12(11-14)5-6-1-3-9-4-2-6/h1-4H,5H2,(H2,8,10)
InChIKeyFENUPYKSEDYBHC-UHFFFAOYSA-N
XLogP0.07
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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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Related Compounds

1-nitro-2-(pyridin-4-ylmethyl)guanidine
CID 13382812
2-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 173335472
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-nitroaniline
CID 62184539
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
1-N-methyl-4-nitro-1-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 106751455
3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 96605911
6-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62102823
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
2-pyridin-4-ylethylidenehydrazine
CID 70447853
2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
CID 57415329
4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685944

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine?
The IUPAC name of 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine (CID 5487022) is 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine.
What is the SMILES notation for 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine?
The canonical SMILES for 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine is N/C(=N\[N+](=O)[O-])N(Cc1ccncc1)N=O.
What is the InChIKey of 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine?
The InChIKey is FENUPYKSEDYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O3/c8-7(10-13(15)16)12(11-14)5-6-1-3-9-4-2-6/h1-4H,5H2,(H2,8,10).
What are the key properties of 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine?
2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine has a molecular weight of 224.18 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-nitroso-1-(pyridin-4-ylmethyl)guanidine is sourced from PubChem (CID 5487022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).