(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone

C13H17N5O2 — CID 43428072

IUPAC(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCCC(O)C2)cnc2ncnn12
InChIInChI=1S/C13H17N5O2/c1-2-11-10(6-14-13-15-8-16-18(11)13)12(20)17-5-3-4-9(19)7-17/h6,8-9,19H,2-5,7H2,1H3
InChIKeyPMLIRPXMNCBMQW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.28
Rot. Bonds2

About (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone

(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43428072) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43428072
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCCC(O)C2)cnc2ncnn12
InChIInChI=1S/C13H17N5O2/c1-2-11-10(6-14-13-15-8-16-18(11)13)12(20)17-5-3-4-9(19)7-17/h6,8-9,19H,2-5,7H2,1H3
InChIKeyPMLIRPXMNCBMQW-UHFFFAOYSA-N
XLogP0.28
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 43428072) is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone is CCc1c(C(=O)N2CCCC(O)C2)cnc2ncnn12.
What is the InChIKey of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is PMLIRPXMNCBMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-11-10(6-14-13-15-8-16-18(11)13)12(20)17-5-3-4-9(19)7-17/h6,8-9,19H,2-5,7H2,1H3.
What are the key properties of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone?
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43428072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).