N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H16N6O2 — CID 821832

IUPACN-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc2ncccn2n1
InChIInChI=1S/C12H16N6O2/c19-11(13-3-5-17-6-8-20-9-7-17)10-15-12-14-2-1-4-18(12)16-10/h1-2,4H,3,5-9H2,(H,13,19)
InChIKeyKDXGEBLBFRBVNA-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.81
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 821832) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID821832
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc2ncccn2n1
InChIInChI=1S/C12H16N6O2/c19-11(13-3-5-17-6-8-20-9-7-17)10-15-12-14-2-1-4-18(12)16-10/h1-2,4H,3,5-9H2,(H,13,19)
InChIKeyKDXGEBLBFRBVNA-UHFFFAOYSA-N
XLogP-0.81
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 821832) is N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCN1CCOCC1)c1nc2ncccn2n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KDXGEBLBFRBVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c19-11(13-3-5-17-6-8-20-9-7-17)10-15-12-14-2-1-4-18(12)16-10/h1-2,4H,3,5-9H2,(H,13,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 821832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).