methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

C10H12ClN5O2 — CID 103076311

IUPACmethyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCOC(=O)CCNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C10H12ClN5O2/c1-6-8(11)15-10-13-5-14-16(10)9(6)12-4-3-7(17)18-2/h5,12H,3-4H2,1-2H3
InChIKeyBUFUWZXYKJQPJX-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate

methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (PubChem CID 103076311) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
PubChem CID103076311
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Namemethyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCOC(=O)CCNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C10H12ClN5O2/c1-6-8(11)15-10-13-5-14-16(10)9(6)12-4-3-7(17)18-2/h5,12H,3-4H2,1-2H3
InChIKeyBUFUWZXYKJQPJX-UHFFFAOYSA-N
XLogP1.06
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)propanamide
CID 103076900
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341657
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257301
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)propanamide
CID 103076893
5-chloro-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076779
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248479
3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 103076747
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 103076387

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (CID 103076311) is methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is COC(=O)CCNc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The InChIKey is BUFUWZXYKJQPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-6-8(11)15-10-13-5-14-16(10)9(6)12-4-3-7(17)18-2/h5,12H,3-4H2,1-2H3.
What are the key properties of methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate has a molecular weight of 269.69 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is sourced from PubChem (CID 103076311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).