7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C10H14ClN5O — CID 94672018

IUPAC7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1cc(Cl)n2nc(NCCOC)nc2n1
InChIInChI=1S/C10H14ClN5O/c1-3-7-6-8(11)16-10(13-7)14-9(15-16)12-4-5-17-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyCNIZGICZZBNFMC-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.40
Rot. Bonds5

About 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 94672018) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID94672018
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1cc(Cl)n2nc(NCCOC)nc2n1
InChIInChI=1S/C10H14ClN5O/c1-3-7-6-8(11)16-10(13-7)14-9(15-16)12-4-5-17-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyCNIZGICZZBNFMC-UHFFFAOYSA-N
XLogP1.40
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 94672018) is 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CCc1cc(Cl)n2nc(NCCOC)nc2n1.
What is the InChIKey of 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CNIZGICZZBNFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-3-7-6-8(11)16-10(13-7)14-9(15-16)12-4-5-17-2/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 255.71 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 94672018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).