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

C9H16N4O — CID 65417215

IUPAC1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCn1ncnc1CN1CCC(O)CC1
InChIInChI=1S/C9H16N4O/c1-12-9(10-7-11-12)6-13-4-2-8(14)3-5-13/h7-8,14H,2-6H2,1H3
InChIKeyYPSDGTSGORWGAO-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds2

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

1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (PubChem CID 65417215) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
PubChem CID65417215
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCn1ncnc1CN1CCC(O)CC1
InChIInChI=1S/C9H16N4O/c1-12-9(10-7-11-12)6-13-4-2-8(14)3-5-13/h7-8,14H,2-6H2,1H3
InChIKeyYPSDGTSGORWGAO-UHFFFAOYSA-N
XLogP-0.23
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (CID 65417215) is 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is Cn1ncnc1CN1CCC(O)CC1.
What is the InChIKey of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is YPSDGTSGORWGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-9(10-7-11-12)6-13-4-2-8(14)3-5-13/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 196.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 65417215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).