2-(3-methoxyphenyl)guanidine;nitrous acid

C8H12N4O3 — CID 86595100

IUPAC2-(3-methoxyphenyl)guanidine;nitrous acid
SMILESCOc1cccc(N=C(N)N)c1.O=NO
InChIInChI=1S/C8H11N3O.HNO2/c1-12-7-4-2-3-6(5-7)11-8(9)10;2-1-3/h2-5H,1H3,(H4,9,10,11);(H,2,3)
InChIKeyIAJRKWHDQLHQNV-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.74
Rot. Bonds2

About 2-(3-methoxyphenyl)guanidine;nitrous acid

2-(3-methoxyphenyl)guanidine;nitrous acid (PubChem CID 86595100) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)guanidine;nitrous acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)guanidine;nitrous acid
PubChem CID86595100
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(3-methoxyphenyl)guanidine;nitrous acid
SMILESCOc1cccc(N=C(N)N)c1.O=NO
InChIInChI=1S/C8H11N3O.HNO2/c1-12-7-4-2-3-6(5-7)11-8(9)10;2-1-3/h2-5H,1H3,(H4,9,10,11);(H,2,3)
InChIKeyIAJRKWHDQLHQNV-UHFFFAOYSA-N
XLogP0.74
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
1-N',4-N'-bis[N'-(3-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134152566
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
(2,6-dichlorophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776421
3-methylbutyl N-[N'-(3-methoxyphenyl)carbamimidoyl]carbamate
CID 135481152
2-(4-fluorophenoxy)ethyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776447
bis(2-(3-methylphenyl)guanidine);sulfuric acid
CID 131842572
5-[4-(diaminomethylideneamino)phenyl]-N-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 86567793
4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
CID 525574
CID 139245906
CID 139245906
N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide
CID 15981652

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)guanidine;nitrous acid?
The IUPAC name of 2-(3-methoxyphenyl)guanidine;nitrous acid (CID 86595100) is 2-(3-methoxyphenyl)guanidine;nitrous acid.
What is the SMILES notation for 2-(3-methoxyphenyl)guanidine;nitrous acid?
The canonical SMILES for 2-(3-methoxyphenyl)guanidine;nitrous acid is COc1cccc(N=C(N)N)c1.O=NO.
What is the InChIKey of 2-(3-methoxyphenyl)guanidine;nitrous acid?
The InChIKey is IAJRKWHDQLHQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.HNO2/c1-12-7-4-2-3-6(5-7)11-8(9)10;2-1-3/h2-5H,1H3,(H4,9,10,11);(H,2,3).
What are the key properties of 2-(3-methoxyphenyl)guanidine;nitrous acid?
2-(3-methoxyphenyl)guanidine;nitrous acid has a molecular weight of 212.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)guanidine;nitrous acid is sourced from PubChem (CID 86595100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).