5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine

C7H12N8 — CID 104895432

IUPAC5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
SMILESNc1nnc([C@@H](N)Cc2cnc[nH]2)n1N
InChIInChI=1S/C7H12N8/c8-5(1-4-2-11-3-12-4)6-13-14-7(9)15(6)10/h2-3,5H,1,8,10H2,(H2,9,14)(H,11,12)/t5-/m0/s1
InChIKeyYGBUSOQFFTXRFF-YFKPBYRVSA-N
MW208.23 g/mol
LogP-1.46
Rot. Bonds3

About 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine

5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine (PubChem CID 104895432) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
PubChem CID104895432
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
SMILESNc1nnc([C@@H](N)Cc2cnc[nH]2)n1N
InChIInChI=1S/C7H12N8/c8-5(1-4-2-11-3-12-4)6-13-14-7(9)15(6)10/h2-3,5H,1,8,10H2,(H2,9,14)(H,11,12)/t5-/m0/s1
InChIKeyYGBUSOQFFTXRFF-YFKPBYRVSA-N
XLogP-1.46
TPSA137.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104895409
2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62694253
(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104895424
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 54920207
1-chloro-3-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
CID 19812378
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385
2-amino-3-(1H-imidazol-5-yl)propanal;dihydrochloride
CID 87164507
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine (CID 104895432) is 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine is Nc1nnc([C@@H](N)Cc2cnc[nH]2)n1N.
What is the InChIKey of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is YGBUSOQFFTXRFF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N8/c8-5(1-4-2-11-3-12-4)6-13-14-7(9)15(6)10/h2-3,5H,1,8,10H2,(H2,9,14)(H,11,12)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine?
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 208.23 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 104895432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).