1-cyano-1-naphthalen-1-ylguanidine

C12H10N4 — CID 87380463

IUPAC1-cyano-1-naphthalen-1-ylguanidine
SMILES[H]/N=C(\N)N(C#N)c1cccc2ccccc12
InChIInChI=1S/C12H10N4/c13-8-16(12(14)15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,(H3,14,15)
InChIKeyRTWNQSXNTJKKDU-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.02
Rot. Bonds1

About 1-cyano-1-naphthalen-1-ylguanidine

1-cyano-1-naphthalen-1-ylguanidine (PubChem CID 87380463) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-cyano-1-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1-cyano-1-naphthalen-1-ylguanidine
PubChem CID87380463
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-cyano-1-naphthalen-1-ylguanidine
SMILES[H]/N=C(\N)N(C#N)c1cccc2ccccc12
InChIInChI=1S/C12H10N4/c13-8-16(12(14)15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,(H3,14,15)
InChIKeyRTWNQSXNTJKKDU-UHFFFAOYSA-N
XLogP2.02
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Alpha-Naphthylthiourea
CID 736366
Aptiganel Hydrochloride
CID 60839
2-Aminoperimidine
CID 112416
Aptiganel
CID 60840
1-Naphthylurea
CID 81387
Perimidine, 1-methyl-
CID 209253
1-(Diaminomethylidene)-2-naphthalen-1-ylguanidine
CID 3835866
Cns 1261
CID 9865760
Thiourea, N-ethyl-N-1-naphthalenyl-
CID 3032463
Pyrimidin-2-ylaminehydrobromide sesquihydrate
CID 2724235
1H-Perimidin-2-amine, hydrochloride (1:1)
CID 112415
1-(2,3-Dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44531873

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-naphthalen-1-ylguanidine?
The IUPAC name of 1-cyano-1-naphthalen-1-ylguanidine (CID 87380463) is 1-cyano-1-naphthalen-1-ylguanidine.
What is the SMILES notation for 1-cyano-1-naphthalen-1-ylguanidine?
The canonical SMILES for 1-cyano-1-naphthalen-1-ylguanidine is [H]/N=C(\N)N(C#N)c1cccc2ccccc12.
What is the InChIKey of 1-cyano-1-naphthalen-1-ylguanidine?
The InChIKey is RTWNQSXNTJKKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-8-16(12(14)15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,(H3,14,15).
What are the key properties of 1-cyano-1-naphthalen-1-ylguanidine?
1-cyano-1-naphthalen-1-ylguanidine has a molecular weight of 210.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-naphthalen-1-ylguanidine is sourced from PubChem (CID 87380463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).