[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium

C7H15N8S2+ — CID 163977786

IUPAC[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium
SMILESN/C(N=[NH2+])=N/CCSSCCn1cc(N)nn1
InChIInChI=1S/C7H14N8S2/c8-6-5-15(14-13-6)2-4-17-16-3-1-11-7(9)12-10/h5,10H,1-4,8H2,(H2,9,11)/p+1
InChIKeySVRVJMBGMJRRKU-UHFFFAOYSA-O
MW275.39 g/mol
LogP-1.23
Rot. Bonds7

About [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium

[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium (PubChem CID 163977786) has the molecular formula C7H15N8S2+ and a molecular weight of 275.39 g/mol. Its IUPAC name is [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium.

Molecular Properties

Compound Name[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium
PubChem CID163977786
Molecular FormulaC7H15N8S2+
Molecular Weight275.39 g/mol
Exact Mass275.09
IUPAC Name[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium
SMILESN/C(N=[NH2+])=N/CCSSCCn1cc(N)nn1
InChIInChI=1S/C7H14N8S2/c8-6-5-15(14-13-6)2-4-17-16-3-1-11-7(9)12-10/h5,10H,1-4,8H2,(H2,9,11)/p+1
InChIKeySVRVJMBGMJRRKU-UHFFFAOYSA-O
XLogP-1.23
TPSA133.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)triazol-4-amine
CID 22639545
1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-(3,4-dimethylpent-3-enyl)triazol-4-amine
CID 165481462
1-[(4E)-4-methoxyiminobutyl]triazol-4-amine
CID 162529995
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
1-[(1,1-dioxothietan-3-yl)methyl]triazol-4-amine
CID 165480918
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
CID 165479292
1-(2-methylbutyl)triazol-4-amine
CID 79531086
1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
CID 79530668
1-[(2,5-dimethylphenyl)methyl]triazol-4-amine
CID 79529269
1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
CID 165473092

Frequently Asked Questions

What is the IUPAC name of [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium?
The IUPAC name of [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium (CID 163977786) is [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium.
What is the SMILES notation for [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium?
The canonical SMILES for [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium is N/C(N=[NH2+])=N/CCSSCCn1cc(N)nn1.
What is the InChIKey of [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium?
The InChIKey is SVRVJMBGMJRRKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N8S2/c8-6-5-15(14-13-6)2-4-17-16-3-1-11-7(9)12-10/h5,10H,1-4,8H2,(H2,9,11)/p+1.
What are the key properties of [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium?
[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium has a molecular weight of 275.39 g/mol, XLogP of -1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium is sourced from PubChem (CID 163977786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).