5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole

C8H15N3 — CID 122599034

IUPAC5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole
SMILESCCCC[C@@H](C)c1ncn[nH]1
InChIInChI=1S/C8H15N3/c1-3-4-5-7(2)8-9-6-10-11-8/h6-7H,3-5H2,1-2H3,(H,9,10,11)/t7-/m1/s1
InChIKeyBDPRYYVTHGRDLG-SSDOTTSWSA-N
MW153.23 g/mol
LogP2.10
Rot. Bonds4

About 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole

5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole (PubChem CID 122599034) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole
PubChem CID122599034
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole
SMILESCCCC[C@@H](C)c1ncn[nH]1
InChIInChI=1S/C8H15N3/c1-3-4-5-7(2)8-9-6-10-11-8/h6-7H,3-5H2,1-2H3,(H,9,10,11)/t7-/m1/s1
InChIKeyBDPRYYVTHGRDLG-SSDOTTSWSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole (CID 122599034) is 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole is CCCC[C@@H](C)c1ncn[nH]1.
What is the InChIKey of 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole?
The InChIKey is BDPRYYVTHGRDLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-7(2)8-9-6-10-11-8/h6-7H,3-5H2,1-2H3,(H,9,10,11)/t7-/m1/s1.
What are the key properties of 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole?
5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-hexan-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 122599034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).