N-(diaminomethylidene)formamide;1-methylindole;hydrochloride

C11H15ClN4O — CID 174360728

IUPACN-(diaminomethylidene)formamide;1-methylindole;hydrochloride
SMILESCl.Cn1ccc2ccccc21.NC(N)=NC=O
InChIInChI=1S/C9H9N.C2H5N3O.ClH/c1-10-7-6-8-4-2-3-5-9(8)10;3-2(4)5-1-6;/h2-7H,1H3;1H,(H4,3,4,5,6);1H
InChIKeyYCLBIDRGWYWFKZ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.02
Rot. Bonds1

About N-(diaminomethylidene)formamide;1-methylindole;hydrochloride

N-(diaminomethylidene)formamide;1-methylindole;hydrochloride (PubChem CID 174360728) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(diaminomethylidene)formamide;1-methylindole;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)formamide;1-methylindole;hydrochloride
PubChem CID174360728
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-(diaminomethylidene)formamide;1-methylindole;hydrochloride
SMILESCl.Cn1ccc2ccccc21.NC(N)=NC=O
InChIInChI=1S/C9H9N.C2H5N3O.ClH/c1-10-7-6-8-4-2-3-5-9(8)10;3-2(4)5-1-6;/h2-7H,1H3;1H,(H4,3,4,5,6);1H
InChIKeyYCLBIDRGWYWFKZ-UHFFFAOYSA-N
XLogP1.02
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)formamide;1-methylindole;hydrochloride?
The IUPAC name of N-(diaminomethylidene)formamide;1-methylindole;hydrochloride (CID 174360728) is N-(diaminomethylidene)formamide;1-methylindole;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)formamide;1-methylindole;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)formamide;1-methylindole;hydrochloride is Cl.Cn1ccc2ccccc21.NC(N)=NC=O.
What is the InChIKey of N-(diaminomethylidene)formamide;1-methylindole;hydrochloride?
The InChIKey is YCLBIDRGWYWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H5N3O.ClH/c1-10-7-6-8-4-2-3-5-9(8)10;3-2(4)5-1-6;/h2-7H,1H3;1H,(H4,3,4,5,6);1H.
What are the key properties of N-(diaminomethylidene)formamide;1-methylindole;hydrochloride?
N-(diaminomethylidene)formamide;1-methylindole;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)formamide;1-methylindole;hydrochloride is sourced from PubChem (CID 174360728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).