2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide

C3H5Cl3N4 — CID 176524428

IUPAC2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide
SMILES[H]/N=C(\N=C(N)N)C(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl3N4/c4-3(5,6)1(7)10-2(8)9/h(H5,7,8,9,10)
InChIKeyQFYAHNCCMKXMDJ-UHFFFAOYSA-N
MW203.46 g/mol
LogP0.61
Rot. Bonds

About 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide

2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide (PubChem CID 176524428) has the molecular formula C3H5Cl3N4 and a molecular weight of 203.46 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide
PubChem CID176524428
Molecular FormulaC3H5Cl3N4
Molecular Weight203.46 g/mol
Exact Mass201.96
IUPAC Name2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide
SMILES[H]/N=C(\N=C(N)N)C(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl3N4/c4-3(5,6)1(7)10-2(8)9/h(H5,7,8,9,10)
InChIKeyQFYAHNCCMKXMDJ-UHFFFAOYSA-N
XLogP0.61
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.46
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide
CID 11333665
2,2-dichloropropanediimidamide
CID 4114057
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
2,2,2-trichloro-N-[(4-chlorophenyl)-morpholin-4-ylmethylidene]ethanimidamide
CID 132531607
copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid
CID 138396656
cyclopropylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83082831
3-(diaminomethylidene)-1,1-bis(3,5-dichlorophenyl)guanidine
CID 118143777
2-cyclopropylethyl N-(diaminomethylidene)carbamimidothioate
CID 83083409
2-(trifluoromethylsulfanyl)ethyl N-(diaminomethylidene)carbamimidothioate
CID 104891387
1-chloro-3-(diaminomethylidene)-1-phenylguanidine
CID 54064404
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
1-(diaminomethylidene)-3-propylideneguanidine
CID 174393528

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide?
The IUPAC name of 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide (CID 176524428) is 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide is [H]/N=C(\N=C(N)N)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide?
The InChIKey is QFYAHNCCMKXMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3N4/c4-3(5,6)1(7)10-2(8)9/h(H5,7,8,9,10).
What are the key properties of 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide?
2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide has a molecular weight of 203.46 g/mol, XLogP of 0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(diaminomethylidene)ethanimidamide is sourced from PubChem (CID 176524428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).