(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C11H18N6 — CID 104895424

IUPAC(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)Cn1cnnc1[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C11H18N6/c1-8(2)5-17-7-15-16-11(17)10(12)3-9-4-13-6-14-9/h4,6-8,10H,3,5,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyVAGCMQORMPIDGX-SNVBAGLBSA-N
MW234.31 g/mol
LogP0.90
Rot. Bonds5

About (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 104895424) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID104895424
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)Cn1cnnc1[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C11H18N6/c1-8(2)5-17-7-15-16-11(17)10(12)3-9-4-13-6-14-9/h4,6-8,10H,3,5,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyVAGCMQORMPIDGX-SNVBAGLBSA-N
XLogP0.90
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine with MolForge

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Related Compounds

2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62694253
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
CID 104895432
(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104895409
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(1S)-2-(1H-imidazol-5-yl)-1-[5-(2-methylpropyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethanamine
CID 131931148
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
CID 114920922
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 54920207
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
CID 153098059

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 104895424) is (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CC(C)Cn1cnnc1[C@H](N)Cc1cnc[nH]1.
What is the InChIKey of (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is VAGCMQORMPIDGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N6/c1-8(2)5-17-7-15-16-11(17)10(12)3-9-4-13-6-14-9/h4,6-8,10H,3,5,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 234.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 104895424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).