3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

C12H17N5 — CID 83070962

IUPAC3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCC1(c2nnc3cc(C)ncn23)CCCN1
InChIInChI=1S/C12H17N5/c1-3-12(5-4-6-14-12)11-16-15-10-7-9(2)13-8-17(10)11/h7-8,14H,3-6H2,1-2H3
InChIKeyPZMWHKUJFBFFHZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds2

About 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 83070962) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID83070962
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCC1(c2nnc3cc(C)ncn23)CCCN1
InChIInChI=1S/C12H17N5/c1-3-12(5-4-6-14-12)11-16-15-10-7-9(2)13-8-17(10)11/h7-8,14H,3-6H2,1-2H3
InChIKeyPZMWHKUJFBFFHZ-UHFFFAOYSA-N
XLogP1.42
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 83070962) is 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is CCC1(c2nnc3cc(C)ncn23)CCCN1.
What is the InChIKey of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is PZMWHKUJFBFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-12(5-4-6-14-12)11-16-15-10-7-9(2)13-8-17(10)11/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-2-yl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 83070962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).