propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate

C12H15N5O2 — CID 175002110

IUPACpropyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate
SMILESCCCOC(=O)Cn1cnnc1-c1cccc(N)n1
InChIInChI=1S/C12H15N5O2/c1-2-6-19-11(18)7-17-8-14-16-12(17)9-4-3-5-10(13)15-9/h3-5,8H,2,6-7H2,1H3,(H2,13,15)
InChIKeyUSSPWNHXJNRURA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.88
Rot. Bonds5

About propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate

propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate (PubChem CID 175002110) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate
PubChem CID175002110
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Namepropyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate
SMILESCCCOC(=O)Cn1cnnc1-c1cccc(N)n1
InChIInChI=1S/C12H15N5O2/c1-2-6-19-11(18)7-17-8-14-16-12(17)9-4-3-5-10(13)15-9/h3-5,8H,2,6-7H2,1H3,(H2,13,15)
InChIKeyUSSPWNHXJNRURA-UHFFFAOYSA-N
XLogP0.88
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate with MolForge

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Related Compounds

propyl 2-[3-[6-[[4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]acetate
CID 175002660
methyl 2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-5-chlorobenzoate
CID 138458879
1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol
CID 163574953
methyl 2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-5-(trifluoromethyl)benzoate
CID 138458567
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetate
CID 5047064
methyl 2-[2-[(1S)-2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclopropyl]ethoxy]-5-iodobenzoate
CID 155609182
ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
CID 140766864
methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate
CID 138459059
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 146393281
6-(3-methyl-1-propylpyrazol-4-yl)pyridin-2-amine
CID 66020419

Frequently Asked Questions

What is the IUPAC name of propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate?
The IUPAC name of propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate (CID 175002110) is propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate.
What is the SMILES notation for propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate?
The canonical SMILES for propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate is CCCOC(=O)Cn1cnnc1-c1cccc(N)n1.
What is the InChIKey of propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate?
The InChIKey is USSPWNHXJNRURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-6-19-11(18)7-17-8-14-16-12(17)9-4-3-5-10(13)15-9/h3-5,8H,2,6-7H2,1H3,(H2,13,15).
What are the key properties of propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate?
propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate has a molecular weight of 261.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate is sourced from PubChem (CID 175002110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).