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

C16H26N8O — CID 128992173

IUPAC2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2nnnn2C2CC2)nn1
InChIInChI=1S/C16H26N8O/c1-16(2,25)14-10-23(21-18-14)13-6-4-3-5-12(13)17-9-15-19-20-22-24(15)11-7-8-11/h10-13,17,25H,3-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyMVWALDLSPRMCLX-QWHCGFSZSA-N
MW346.44 g/mol
LogP1.10
Rot. Bonds6

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

2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 128992173) has the molecular formula C16H26N8O and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID128992173
Molecular FormulaC16H26N8O
Molecular Weight346.44 g/mol
Exact Mass346.22
IUPAC Name2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2nnnn2C2CC2)nn1
InChIInChI=1S/C16H26N8O/c1-16(2,25)14-10-23(21-18-14)13-6-4-3-5-12(13)17-9-15-19-20-22-24(15)11-7-8-11/h10-13,17,25H,3-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyMVWALDLSPRMCLX-QWHCGFSZSA-N
XLogP1.10
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 113461351
CID 113461351
CID 116005831
CID 116005831
CID 116006396
CID 116006396
CID 128971825
CID 128971825
CID 128974068
CID 128974068
CID 128991736
CID 128991736
CID 128991771
CID 128991771
CID 128996669
CID 128996669
CID 128996712
CID 128996712
CID 137844644
CID 137844644
CID 137866208
CID 137866208
CID 137877097
CID 137877097

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (CID 128992173) is 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2nnnn2C2CC2)nn1.
What is the InChIKey of 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is MVWALDLSPRMCLX-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N8O/c1-16(2,25)14-10-23(21-18-14)13-6-4-3-5-12(13)17-9-15-19-20-22-24(15)11-7-8-11/h10-13,17,25H,3-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 346.44 g/mol, XLogP of 1.10, 6 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-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 128992173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).