2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

C17H29N7O — CID 128991736

IUPAC2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCCn1c(C)nnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C17H29N7O/c1-5-23-12(2)19-21-16(23)10-18-13-8-6-7-9-14(13)24-11-15(20-22-24)17(3,4)25/h11,13-14,18,25H,5-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyNXWUXTAKNQHDNX-UONOGXRCSA-N
MW347.47 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 128991736) has the molecular formula C17H29N7O and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID128991736
Molecular FormulaC17H29N7O
Molecular Weight347.47 g/mol
Exact Mass347.24
IUPAC Name2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCCn1c(C)nnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C17H29N7O/c1-5-23-12(2)19-21-16(23)10-18-13-8-6-7-9-14(13)24-11-15(20-22-24)17(3,4)25/h11,13-14,18,25H,5-10H2,1-4H3/t13-,14+/m0/s1
InChIKeyNXWUXTAKNQHDNX-UONOGXRCSA-N
XLogP1.70
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 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) is 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is CCn1c(C)nnc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is NXWUXTAKNQHDNX-UONOGXRCSA-N. The full InChI is InChI=1S/C17H29N7O/c1-5-23-12(2)19-21-16(23)10-18-13-8-6-7-9-14(13)24-11-15(20-22-24)17(3,4)25/h11,13-14,18,25H,5-10H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 347.47 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2S)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 128991736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).