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

C10H18N4O — CID 103898506

IUPAC4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
SMILESCC1CCN(Cc2ncnn2C)CC1O
InChIInChI=1S/C10H18N4O/c1-8-3-4-14(5-9(8)15)6-10-11-7-12-13(10)2/h7-9,15H,3-6H2,1-2H3
InChIKeyKTCQNVMAZJWFBN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.02
Rot. Bonds2

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

4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol (PubChem CID 103898506) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
PubChem CID103898506
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
SMILESCC1CCN(Cc2ncnn2C)CC1O
InChIInChI=1S/C10H18N4O/c1-8-3-4-14(5-9(8)15)6-10-11-7-12-13(10)2/h7-9,15H,3-6H2,1-2H3
InChIKeyKTCQNVMAZJWFBN-UHFFFAOYSA-N
XLogP0.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol (CID 103898506) is 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol is CC1CCN(Cc2ncnn2C)CC1O.
What is the InChIKey of 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is KTCQNVMAZJWFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-3-4-14(5-9(8)15)6-10-11-7-12-13(10)2/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 103898506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).