(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C11H18N6 — CID 104895409

IUPAC(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nnc([C@@H](N)Cc2cnc[nH]2)n1C(C)C
InChIInChI=1S/C11H18N6/c1-7(2)17-8(3)15-16-11(17)10(12)4-9-5-13-6-14-9/h5-7,10H,4,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeySMULXKNIODCFEV-JTQLQIEISA-N
MW234.31 g/mol
LogP1.13
Rot. Bonds4

About (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104895409) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104895409
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nnc([C@@H](N)Cc2cnc[nH]2)n1C(C)C
InChIInChI=1S/C11H18N6/c1-7(2)17-8(3)15-16-11(17)10(12)4-9-5-13-6-14-9/h5-7,10H,4,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeySMULXKNIODCFEV-JTQLQIEISA-N
XLogP1.13
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
CID 104895432
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
3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 61376856
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61378601
2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 81081213
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
(1S)-2-(1H-imidazol-5-yl)-1-[5-(2-methylpropyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethanamine
CID 131931148
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
(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 (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104895409) is (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is Cc1nnc([C@@H](N)Cc2cnc[nH]2)n1C(C)C.
What is the InChIKey of (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is SMULXKNIODCFEV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N6/c1-7(2)17-8(3)15-16-11(17)10(12)4-9-5-13-6-14-9/h5-7,10H,4,12H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 234.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104895409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).