[1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol

C13H19N5O — CID 66693535

IUPAC[1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol
SMILESCCc1nnc2cc(N3CCC(CO)CC3)ncn12
InChIInChI=1S/C13H19N5O/c1-2-11-15-16-13-7-12(14-9-18(11)13)17-5-3-10(8-19)4-6-17/h7,9-10,19H,2-6,8H2,1H3
InChIKeyHMNWUZQEUFEWEB-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.90
Rot. Bonds3

About [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol

[1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol (PubChem CID 66693535) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol
PubChem CID66693535
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol
SMILESCCc1nnc2cc(N3CCC(CO)CC3)ncn12
InChIInChI=1S/C13H19N5O/c1-2-11-15-16-13-7-12(14-9-18(11)13)17-5-3-10(8-19)4-6-17/h7,9-10,19H,2-6,8H2,1H3
InChIKeyHMNWUZQEUFEWEB-UHFFFAOYSA-N
XLogP0.90
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol (CID 66693535) is [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol is CCc1nnc2cc(N3CCC(CO)CC3)ncn12.
What is the InChIKey of [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol?
The InChIKey is HMNWUZQEUFEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-11-15-16-13-7-12(14-9-18(11)13)17-5-3-10(8-19)4-6-17/h7,9-10,19H,2-6,8H2,1H3.
What are the key properties of [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol?
[1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol has a molecular weight of 261.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 66693535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).