3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid

C12H15N5O2 — CID 66030575

IUPAC3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nnc2c(NC3CCC(C(=O)O)C3)nccn12
InChIInChI=1S/C12H15N5O2/c1-7-15-16-11-10(13-4-5-17(7)11)14-9-3-2-8(6-9)12(18)19/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,18,19)
InChIKeyMUIQXFSJGBFGDF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.10
Rot. Bonds3

About 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid

3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030575) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030575
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nnc2c(NC3CCC(C(=O)O)C3)nccn12
InChIInChI=1S/C12H15N5O2/c1-7-15-16-11-10(13-4-5-17(7)11)14-9-3-2-8(6-9)12(18)19/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,18,19)
InChIKeyMUIQXFSJGBFGDF-UHFFFAOYSA-N
XLogP1.10
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
CID 64818022
N-(3-ethoxycyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102609179
N-(3-chloro-2,2-dimethylcyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 114632035
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
CID 115677808
2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
CID 79792692
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 129417782

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid (CID 66030575) is 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid is Cc1nnc2c(NC3CCC(C(=O)O)C3)nccn12.
What is the InChIKey of 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is MUIQXFSJGBFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-15-16-11-10(13-4-5-17(7)11)14-9-3-2-8(6-9)12(18)19/h4-5,8-9H,2-3,6H2,1H3,(H,13,14)(H,18,19).
What are the key properties of 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid?
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).