ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate

C13H18N6O2 — CID 110455453

IUPACethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2c(N3CCNCC3)cccn2n1
InChIInChI=1S/C13H18N6O2/c1-2-21-13(20)16-12-15-11-10(4-3-7-19(11)17-12)18-8-5-14-6-9-18/h3-4,7,14H,2,5-6,8-9H2,1H3,(H,16,17,20)
InChIKeyHTWQNNLHMJEVQH-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.71
Rot. Bonds3

About ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate

ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate (PubChem CID 110455453) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
PubChem CID110455453
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Nameethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2c(N3CCNCC3)cccn2n1
InChIInChI=1S/C13H18N6O2/c1-2-21-13(20)16-12-15-11-10(4-3-7-19(11)17-12)18-8-5-14-6-9-18/h3-4,7,14H,2,5-6,8-9H2,1H3,(H,16,17,20)
InChIKeyHTWQNNLHMJEVQH-UHFFFAOYSA-N
XLogP0.71
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
CID 59648075
ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
CID 13123931
ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
CID 110455486
N-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-2-methyl-7-piperazin-1-ylindazole-4-carboxamide
CID 170380616
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
methyl 4-(2-methyl-3-piperazin-1-ylanilino)-4-oxobutanoate
CID 142651964
ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
CID 110455631
methyl 2-[[2-(ethoxycarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-methylamino]acetate
CID 110455499
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
8-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555302
ethyl N-piperazin-1-ylcarbamate
CID 13200156
methyl 2-amino-3-piperazin-1-ylbenzoate
CID 176889700

Frequently Asked Questions

What is the IUPAC name of ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
The IUPAC name of ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate (CID 110455453) is ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
The canonical SMILES for ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate is CCOC(=O)Nc1nc2c(N3CCNCC3)cccn2n1.
What is the InChIKey of ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
The InChIKey is HTWQNNLHMJEVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-2-21-13(20)16-12-15-11-10(4-3-7-19(11)17-12)18-8-5-14-6-9-18/h3-4,7,14H,2,5-6,8-9H2,1H3,(H,16,17,20).
What are the key properties of ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate has a molecular weight of 290.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate is sourced from PubChem (CID 110455453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).