cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol

C8H9ClN4O — CID 89240906

IUPACcyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol
SMILESNc1nc(N)c(C(O)=C2CC2)nc1Cl
InChIInChI=1S/C8H9ClN4O/c9-6-8(11)13-7(10)4(12-6)5(14)3-1-2-3/h14H,1-2H2,(H4,10,11,13)
InChIKeyYMTYIAUNCSMFKI-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.36
Rot. Bonds1

About cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol

cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol (PubChem CID 89240906) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol.

Molecular Properties

Compound Namecyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol
PubChem CID89240906
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Namecyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol
SMILESNc1nc(N)c(C(O)=C2CC2)nc1Cl
InChIInChI=1S/C8H9ClN4O/c9-6-8(11)13-7(10)4(12-6)5(14)3-1-2-3/h14H,1-2H2,(H4,10,11,13)
InChIKeyYMTYIAUNCSMFKI-UHFFFAOYSA-N
XLogP1.36
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-6-chloropyrazine-2-carboximidamide
CID 143760952
3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
CID 135568542
1-aminobutyl 3,5-diamino-6-chloropyrazine-2-carboxylate
CID 123418593
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25191031
3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
CID 44513113
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
CID 86656628
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]propan-2-yl-trimethylazanium
CID 58398853
2-benzamidoethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 58398769
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
CID 57393343

Frequently Asked Questions

What is the IUPAC name of cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol?
The IUPAC name of cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol (CID 89240906) is cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol.
What is the SMILES notation for cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol?
The canonical SMILES for cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol is Nc1nc(N)c(C(O)=C2CC2)nc1Cl.
What is the InChIKey of cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol?
The InChIKey is YMTYIAUNCSMFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-6-8(11)13-7(10)4(12-6)5(14)3-1-2-3/h14H,1-2H2,(H4,10,11,13).
What are the key properties of cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol?
cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol has a molecular weight of 212.64 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol is sourced from PubChem (CID 89240906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).