1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol

C11H20N4O2 — CID 56752569

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol
SMILESCCn1ncnc1CN1CCC(O)(CO)CC1
InChIInChI=1S/C11H20N4O2/c1-2-15-10(12-9-13-15)7-14-5-3-11(17,8-16)4-6-14/h9,16-17H,2-8H2,1H3
InChIKeyBSYIWQCFNPZQFN-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.38
Rot. Bonds4

About 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol (PubChem CID 56752569) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol
PubChem CID56752569
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol
SMILESCCn1ncnc1CN1CCC(O)(CO)CC1
InChIInChI=1S/C11H20N4O2/c1-2-15-10(12-9-13-15)7-14-5-3-11(17,8-16)4-6-14/h9,16-17H,2-8H2,1H3
InChIKeyBSYIWQCFNPZQFN-UHFFFAOYSA-N
XLogP-0.38
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol (CID 56752569) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol is CCn1ncnc1CN1CCC(O)(CO)CC1.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol?
The InChIKey is BSYIWQCFNPZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-15-10(12-9-13-15)7-14-5-3-11(17,8-16)4-6-14/h9,16-17H,2-8H2,1H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol has a molecular weight of 240.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 56752569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).