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

C10H12ClN5O2 — CID 102918711

IUPACethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H12ClN5O2/c1-2-18-9(17)3-4-12-8-5-7(11)15-10-13-6-14-16(8)10/h5-6,12H,2-4H2,1H3
InChIKeyLBWSCRXVNQTFCE-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.14
Rot. Bonds5

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

ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (PubChem CID 102918711) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
PubChem CID102918711
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Nameethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H12ClN5O2/c1-2-18-9(17)3-4-12-8-5-7(11)15-10-13-6-14-16(8)10/h5-6,12H,2-4H2,1H3
InChIKeyLBWSCRXVNQTFCE-UHFFFAOYSA-N
XLogP1.14
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102919122
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
ethyl 4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 59014091
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60926639
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666
ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
CID 133407087
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate (CID 102918711) is ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is CCOC(=O)CCNc1cc(Cl)nc2ncnn12.
What is the InChIKey of ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
The InChIKey is LBWSCRXVNQTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-2-18-9(17)3-4-12-8-5-7(11)15-10-13-6-14-16(8)10/h5-6,12H,2-4H2,1H3.
What are the key properties of ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate?
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate has a molecular weight of 269.69 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate is sourced from PubChem (CID 102918711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).