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

C14H24N8O — CID 128996712

IUPAC[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCC(C)n1nnnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1
InChIInChI=1S/C14H24N8O/c1-10(2)22-14(17-18-20-22)7-15-12-5-3-4-6-13(12)21-8-11(9-23)16-19-21/h8,10,12-13,15,23H,3-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyJKZPXDWQNWHYTC-QWHCGFSZSA-N
MW320.40 g/mol
LogP0.61
Rot. Bonds6

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

[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol (PubChem CID 128996712) has the molecular formula C14H24N8O and a molecular weight of 320.40 g/mol. Its IUPAC name is [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
PubChem CID128996712
Molecular FormulaC14H24N8O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCC(C)n1nnnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1
InChIInChI=1S/C14H24N8O/c1-10(2)22-14(17-18-20-22)7-15-12-5-3-4-6-13(12)21-8-11(9-23)16-19-21/h8,10,12-13,15,23H,3-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyJKZPXDWQNWHYTC-QWHCGFSZSA-N
XLogP0.61
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol (CID 128996712) is [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol is CC(C)n1nnnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1.
What is the InChIKey of [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The InChIKey is JKZPXDWQNWHYTC-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N8O/c1-10(2)22-14(17-18-20-22)7-15-12-5-3-4-6-13(12)21-8-11(9-23)16-19-21/h8,10,12-13,15,23H,3-7,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
[1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol has a molecular weight of 320.40 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-[(1-propan-2-yltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]methanol is sourced from PubChem (CID 128996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).