2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

C16H28N8O — CID 128974068

IUPAC2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCCCn1nnnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C16H28N8O/c1-4-9-23-15(19-20-22-23)10-17-12-7-5-6-8-13(12)24-11-14(18-21-24)16(2,3)25/h11-13,17,25H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyMGZJHTRGLLZTOH-QWHCGFSZSA-N
MW348.46 g/mol
LogP1.18
Rot. Bonds7

About 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 128974068) has the molecular formula C16H28N8O and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID128974068
Molecular FormulaC16H28N8O
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC Name2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCCCn1nnnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C16H28N8O/c1-4-9-23-15(19-20-22-23)10-17-12-7-5-6-8-13(12)24-11-14(18-21-24)16(2,3)25/h11-13,17,25H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyMGZJHTRGLLZTOH-QWHCGFSZSA-N
XLogP1.18
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol 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

2-[1-[(1-Cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol
CID 113461351
2-[1-[(1-Butyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol
CID 116005831
2-[1-[(1-Propyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol
CID 116006396
2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128969910
[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128971825
2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128991736
2-[1-[(1R,2S)-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128991771
2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128991819
2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128992173
2-[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128996669
[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128996712
2-[1-[(1R,2S)-2-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 137844644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (CID 128974068) is 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is CCCn1nnnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is MGZJHTRGLLZTOH-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H28N8O/c1-4-9-23-15(19-20-22-23)10-17-12-7-5-6-8-13(12)24-11-14(18-21-24)16(2,3)25/h11-13,17,25H,4-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 348.46 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2S)-2-[(1-propyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 128974068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).