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

C10H14ClN5O — CID 102919027

IUPAC5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOCCN(C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H14ClN5O/c1-3-17-5-4-15(2)9-6-8(11)14-10-12-7-13-16(9)10/h6-7H,3-5H2,1-2H3
InChIKeyNIGBAXCYLYKETP-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.25
Rot. Bonds5

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

5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102919027) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102919027
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOCCN(C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H14ClN5O/c1-3-17-5-4-15(2)9-6-8(11)14-10-12-7-13-16(9)10/h6-7H,3-5H2,1-2H3
InChIKeyNIGBAXCYLYKETP-UHFFFAOYSA-N
XLogP1.25
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
CID 102918554
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile
CID 102918635
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
N,N-bis(2-ethoxyethyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094617
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918652
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
CID 102918624
N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102919027) is 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCOCCN(C)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NIGBAXCYLYKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-3-17-5-4-15(2)9-6-8(11)14-10-12-7-13-16(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.71 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102919027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).