(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C9H15N7S2 — CID 90193581

IUPAC(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESN[C@@H](CSSC[C@H](N)c1ncn[nH]1)C1=NCC=N1
InChIInChI=1S/C9H15N7S2/c10-6(8-12-1-2-13-8)3-17-18-4-7(11)9-14-5-15-16-9/h1,5-7H,2-4,10-11H2,(H,14,15,16)/t6-,7-/m0/s1
InChIKeyLXCXGZSRKLGIPZ-BQBZGAKWSA-N
MW285.40 g/mol
LogP-0.00
Rot. Bonds7

About (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 90193581) has the molecular formula C9H15N7S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID90193581
Molecular FormulaC9H15N7S2
Molecular Weight285.40 g/mol
Exact Mass285.08
IUPAC Name(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESN[C@@H](CSSC[C@H](N)c1ncn[nH]1)C1=NCC=N1
InChIInChI=1S/C9H15N7S2/c10-6(8-12-1-2-13-8)3-17-18-4-7(11)9-14-5-15-16-9/h1,5-7H,2-4,10-11H2,(H,14,15,16)/t6-,7-/m0/s1
InChIKeyLXCXGZSRKLGIPZ-BQBZGAKWSA-N
XLogP-0.00
TPSA118.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 90193581) is (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is N[C@@H](CSSC[C@H](N)c1ncn[nH]1)C1=NCC=N1.
What is the InChIKey of (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is LXCXGZSRKLGIPZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15N7S2/c10-6(8-12-1-2-13-8)3-17-18-4-7(11)9-14-5-15-16-9/h1,5-7H,2-4,10-11H2,(H,14,15,16)/t6-,7-/m0/s1.
What are the key properties of (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
(1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 285.40 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-2-amino-2-(4H-imidazol-2-yl)ethyl]disulfanyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 90193581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).