(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol

C17H29N3O2 — CID 74232900

IUPAC(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1nc(C2CCOCC2)nc1[C@H](O)C1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-2-10-20-17(15(21)13-6-4-3-5-7-13)18-16(19-20)14-8-11-22-12-9-14/h13-15,21H,2-12H2,1H3/t15-/m1/s1
InChIKeyHGRRUGGOEQZUCP-OAHLLOKOSA-N
MW307.44 g/mol
LogP3.20
Rot. Bonds5

About (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol

(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 74232900) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID74232900
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1nc(C2CCOCC2)nc1[C@H](O)C1CCCCC1
InChIInChI=1S/C17H29N3O2/c1-2-10-20-17(15(21)13-6-4-3-5-7-13)18-16(19-20)14-8-11-22-12-9-14/h13-15,21H,2-12H2,1H3/t15-/m1/s1
InChIKeyHGRRUGGOEQZUCP-OAHLLOKOSA-N
XLogP3.20
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol (CID 74232900) is (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol is CCCn1nc(C2CCOCC2)nc1[C@H](O)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is HGRRUGGOEQZUCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-2-10-20-17(15(21)13-6-4-3-5-7-13)18-16(19-20)14-8-11-22-12-9-14/h13-15,21H,2-12H2,1H3/t15-/m1/s1.
What are the key properties of (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol?
(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 307.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 74232900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).