1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine

C12H13N5O — CID 168601838

IUPAC1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine
SMILESNC(N)=N/C(N)=N\c1c(O)ccc2ccccc12
InChIInChI=1S/C12H13N5O/c13-11(14)17-12(15)16-10-8-4-2-1-3-7(8)5-6-9(10)18/h1-6,18H,(H6,13,14,15,16,17)
InChIKeyOIINWRJOHUFKDM-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.76
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine

1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine (PubChem CID 168601838) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine
PubChem CID168601838
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine
SMILESNC(N)=N/C(N)=N\c1c(O)ccc2ccccc12
InChIInChI=1S/C12H13N5O/c13-11(14)17-12(15)16-10-8-4-2-1-3-7(8)5-6-9(10)18/h1-6,18H,(H6,13,14,15,16,17)
InChIKeyOIINWRJOHUFKDM-UHFFFAOYSA-N
XLogP0.76
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
phenanthrene-2,3-diol
CID 23048019
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine
CID 23422118
copper;1-nitrosonaphthalen-2-ol;1-nitrosonaphthalen-2-olate
CID 74219017
chrysene-3,4-diol
CID 23622151
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
phenanthrene;phosphinous acid
CID 174826862
1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
CID 168601501
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine (CID 168601838) is 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine is NC(N)=N/C(N)=N\c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine?
The InChIKey is OIINWRJOHUFKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-11(14)17-12(15)16-10-8-4-2-1-3-7(8)5-6-9(10)18/h1-6,18H,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine?
1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine has a molecular weight of 243.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-hydroxynaphthalen-1-yl)guanidine is sourced from PubChem (CID 168601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).