4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol

C12H23N5O — CID 102799088

IUPAC4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(N2CCC(C)C(N)C2)n[nH]1
InChIInChI=1S/C12H23N5O/c1-8-5-6-17(7-10(8)13)12-14-11(15-16-12)4-3-9(2)18/h8-10,18H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyGYBFEYFIPRSFBZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.29
Rot. Bonds4

About 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol

4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol (PubChem CID 102799088) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
PubChem CID102799088
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(N2CCC(C)C(N)C2)n[nH]1
InChIInChI=1S/C12H23N5O/c1-8-5-6-17(7-10(8)13)12-14-11(15-16-12)4-3-9(2)18/h8-10,18H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyGYBFEYFIPRSFBZ-UHFFFAOYSA-N
XLogP0.29
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol with MolForge

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Related Compounds

4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799068
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102799076
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
4-[3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102793729
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102799010
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
4-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799092
1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
CID 83891348
4-[3-(3-aminopyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-1-ol
CID 102793313

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol (CID 102799088) is 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol is CC(O)CCc1nc(N2CCC(C)C(N)C2)n[nH]1.
What is the InChIKey of 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol?
The InChIKey is GYBFEYFIPRSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8-5-6-17(7-10(8)13)12-14-11(15-16-12)4-3-9(2)18/h8-10,18H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol?
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol is sourced from PubChem (CID 102799088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).