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

C13H17N5O2 — CID 62370595

IUPAC(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCC(CO)C2)cnc2ncnn12
InChIInChI=1S/C13H17N5O2/c1-2-11-10(5-14-13-15-8-16-18(11)13)12(20)17-4-3-9(6-17)7-19/h5,8-9,19H,2-4,6-7H2,1H3
InChIKeyMJVPTBZNVRLNJI-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.14
Rot. Bonds3

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

(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62370595) 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-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62370595
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-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCC(CO)C2)cnc2ncnn12
InChIInChI=1S/C13H17N5O2/c1-2-11-10(5-14-13-15-8-16-18(11)13)12(20)17-4-3-9(6-17)7-19/h5,8-9,19H,2-4,6-7H2,1H3
InChIKeyMJVPTBZNVRLNJI-UHFFFAOYSA-N
XLogP0.14
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.14
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-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62370595) is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCc1c(C(=O)N2CCC(CO)C2)cnc2ncnn12.
What is the InChIKey of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MJVPTBZNVRLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-11-10(5-14-13-15-8-16-18(11)13)12(20)17-4-3-9(6-17)7-19/h5,8-9,19H,2-4,6-7H2,1H3.
What are the key properties of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of 0.14, 3 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-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62370595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).