3,5-diamino-6-chloropyrazine-2-carboximidamide

C5H7ClN6 — CID 143760952

IUPAC3,5-diamino-6-chloropyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C5H7ClN6/c6-2-5(10)12-4(9)1(11-2)3(7)8/h(H3,7,8)(H4,9,10,12)
InChIKeyQCUYVEFMMZVXAC-UHFFFAOYSA-N
MW186.61 g/mol
LogP-0.42
Rot. Bonds1

About 3,5-diamino-6-chloropyrazine-2-carboximidamide

3,5-diamino-6-chloropyrazine-2-carboximidamide (PubChem CID 143760952) has the molecular formula C5H7ClN6 and a molecular weight of 186.61 g/mol. Its IUPAC name is 3,5-diamino-6-chloropyrazine-2-carboximidamide.

Molecular Properties

Compound Name3,5-diamino-6-chloropyrazine-2-carboximidamide
PubChem CID143760952
Molecular FormulaC5H7ClN6
Molecular Weight186.61 g/mol
Exact Mass186.04
IUPAC Name3,5-diamino-6-chloropyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C5H7ClN6/c6-2-5(10)12-4(9)1(11-2)3(7)8/h(H3,7,8)(H4,9,10,12)
InChIKeyQCUYVEFMMZVXAC-UHFFFAOYSA-N
XLogP-0.42
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-carbamimidoyl-N-[5-[carbamimidoyl-(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]pentyl]-6-chloropyrazine-2-carboxamide;dihydrobromide
CID 87728855
3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 137321662
3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
CID 87667873
cyclopropylidene-(3,5-diamino-6-chloropyrazin-2-yl)methanol
CID 89240906
1-[4-[carbamimidoyl-(3,5-diamino-6-chloropyrazin-2-yl)amino]butyl]-1-(3,5-diamino-6-chloropyrazin-2-yl)guanidine
CID 23002931
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
[carbamoyloxy-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylsulfanyl]methyl] carbamate
CID 87204469
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,6-dichloropyridazine-4-carboximidamide
CID 153219721
2-chloro-1,3-oxazole-4-carboximidamide
CID 76853027
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
1-aminobutyl 3,5-diamino-6-chloropyrazine-2-carboxylate
CID 123418593

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloropyrazine-2-carboximidamide?
The IUPAC name of 3,5-diamino-6-chloropyrazine-2-carboximidamide (CID 143760952) is 3,5-diamino-6-chloropyrazine-2-carboximidamide.
What is the SMILES notation for 3,5-diamino-6-chloropyrazine-2-carboximidamide?
The canonical SMILES for 3,5-diamino-6-chloropyrazine-2-carboximidamide is [H]/N=C(\N)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloropyrazine-2-carboximidamide?
The InChIKey is QCUYVEFMMZVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN6/c6-2-5(10)12-4(9)1(11-2)3(7)8/h(H3,7,8)(H4,9,10,12).
What are the key properties of 3,5-diamino-6-chloropyrazine-2-carboximidamide?
3,5-diamino-6-chloropyrazine-2-carboximidamide has a molecular weight of 186.61 g/mol, XLogP of -0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloropyrazine-2-carboximidamide is sourced from PubChem (CID 143760952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).